CID 112577450

1566721-74-1

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1CC(=O)NC2=CC=CC(=C2N1)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-6-5-9(14)13-8-4-2-3-7(11(15)16)10(8)12-6/h2-4,6,12H,5H2,1H3,(H,13,14)(H,15,16)
InChIKey
PSUVFZNHKSDCGV-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 144.9
[M+Na]+ 243.07402 153.8
[M+NH4]+ 238.11862 150.1
[M+K]+ 259.04796 151.4
[M-H]- 219.07752 143.6
[M+Na-2H]- 241.05947 147.6
[M]+ 220.08425 145.4
[M]- 220.08535 145.4
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

patents stripe