Metabolite CVT-3369

Name

CVT-3369

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

ZX4GQK5858

CAS number

Not Available

Weight

Average: 324.377
Monoisotopic: 324.168521881

Chemical Formula

C₁₆H₂₄N₂O₅

InChI Key

VSJIQXMQDMIROR-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O5/c1-22-14-4-2-3-5-15(14)23-12-13(19)10-17-6-8-18(9-7-17)11-16(20)21/h2-5,13,19H,6-12H2,1H3,(H,20,21)

IUPAC Name

2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid

SMILES

COC1=CC=CC=C1OCC(O)CN1CCN(CC(O)=O)CC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ufr-0097000000-0195ce160313fb7731ec
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dm-0903000000-835002ebc8a9a0cd8bf5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0491000000-dbed4b6685610898fad0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0900000000-bccca12c05d1d7300322
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0flc-1950000000-2303444aea75f20f90af
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-006x-4940000000-26aa3134d09a16dd2e4e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.58379	predicted	DeepCCS 1.0 (2019)
[M+H]+	171.94179	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.03494	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties