Metabolite desethylzaleplon

Name

desethylzaleplon

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

C6S8C8MX0L

CAS number

Not Available

Weight

Average: 263.2972
Monoisotopic: 263.117095441

Chemical Formula

C₁₅H₁₃N₅

InChI Key

QIBDHPGCTQWVTR-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10,17H,2H2,1H3

IUPAC Name

7-[3-(ethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

SMILES

CCNC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-000j-3790000000-40dc7521e4239ce44c7c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-779058d32d50d889d658
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-0acd8b7881ba8257ca17
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-83e1c60c9219d12847ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-0190000000-3033fbc49f6f66b9dbb5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0790000000-f381b6c46552317d23a5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0190000000-867bb0595999eac4e477

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.7890514	predicted	DarkChem Lite v0.1.0
[M-H]-	156.45604	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.3045514	predicted	DarkChem Lite v0.1.0
[M+H]+	158.81404	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.5457514	predicted	DarkChem Lite v0.1.0
[M+Na]+	164.90718	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties