Metabolite CVT-2738

Name

CVT-2738

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

NYS3I6283H

CAS number

Not Available

Weight

Average: 247.342
Monoisotopic: 247.168462308

Chemical Formula

C₁₄H₂₁N₃O

InChI Key

NJKRFQIWDJSYOK-UHFFFAOYSA-N

InChI

InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)

IUPAC Name

N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

SMILES

CC1=CC=CC(C)=C1NC(=O)CN1CCNCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004j-0960000000-8b663ad6477cbfd9f32b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0590000000-3cc0012c48b8b5b702ea
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9330000000-d585c8a288882aa7e629
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dl-7900000000-8f324bbee4c85c57f25d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-9100000000-75f67bf4fcfd8f7b8813
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9510000000-fba594d1e9e832652f50

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M-H]-	153.49243	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.888	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.93312	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties