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]+ 297.123376 167.1
[M+Na]+ 319.105318 173.3
[M-H]- 295.108824 171.8
[M+NH4]+ 314.149923 179.2
[M+K]+ 335.079258 173.3
[M+H-H2O]+ 279.113360 158.8
[M+HCOO]- 341.114301 183.0
[M+CH3COO]- 355.129951 176.9
[M+Na-2H]- 317.090766 170.8
[M]+ 296.11555142 162.7
[M]- 296.11664858 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.