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]+ 220.10805 146.0
[M+Na]+ 242.08999 152.5
[M-H]- 218.09349 147.7
[M+NH4]+ 237.13459 161.0
[M+K]+ 258.06393 153.7
[M+H-H2O]+ 202.09803 138.7
[M+HCOO]- 264.09897 162.7
[M+CH3COO]- 278.11462 190.1
[M+Na-2H]- 240.07544 149.9
[M]+ 219.10022 139.3
[M]- 219.10132 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.