CID 55992

89647-50-7

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)N
InChI
InChI=1S/C11H13N3O2/c1-7-6-10(15)13-8-4-2-3-5-9(8)14(7)11(12)16/h2-5,7H,6H2,1H3,(H2,12,16)(H,13,15)
InChIKey
YLXBLSJWOYVREI-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 146.0
[M+Na]+ 242.089988 152.5
[M-H]- 218.093494 147.7
[M+NH4]+ 237.134593 161.0
[M+K]+ 258.063928 153.7
[M+H-H2O]+ 202.098030 138.7
[M+HCOO]- 264.098971 162.7
[M+CH3COO]- 278.114621 190.1
[M+Na-2H]- 240.075436 149.9
[M]+ 219.10022142 139.3
[M]- 219.10131858 139.3
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.