CID 3062793

98987-11-2

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O3/c1-12-11-16(20)18-14-9-5-6-10-15(14)19(12)17(21)22-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,20)
InChIKey
BUGPQVVBKZUPQM-UHFFFAOYSA-N
Compound name
phenyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.1
[M+Na]+ 319.10532 173.3
[M-H]- 295.10882 171.8
[M+NH4]+ 314.14992 179.2
[M+K]+ 335.07926 173.3
[M+H-H2O]+ 279.11336 158.8
[M+HCOO]- 341.11430 183.0
[M+CH3COO]- 355.12995 176.9
[M+Na-2H]- 317.09077 170.8
[M]+ 296.11555 162.7
[M]- 296.11665 162.7
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.