CID 377486

Nsc658954

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1CN(C2=CC=CC=C2NC1=O)C(=O)NCC=C
InChI
InChI=1S/C14H17N3O2/c1-3-8-15-14(19)17-9-10(2)13(18)16-11-6-4-5-7-12(11)17/h3-7,10H,1,8-9H2,2H3,(H,15,19)(H,16,18)
InChIKey
ZXIBKDQWFZDUMS-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-N-prop-2-enyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 158.1
[M+Na]+ 282.12130 163.7
[M-H]- 258.12480 159.8
[M+NH4]+ 277.16590 171.7
[M+K]+ 298.09524 163.9
[M+H-H2O]+ 242.12934 150.4
[M+HCOO]- 304.13028 174.5
[M+CH3COO]- 318.14593 197.8
[M+Na-2H]- 280.10675 161.4
[M]+ 259.13153 152.5
[M]- 259.13263 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.