CID 76175

2898-08-0

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)
InChIKey
IVUAAOBNUNMJQC-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

396
Patents

236.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 152.4
[M+Na]+ 259.08418 159.7
[M-H]- 235.08768 157.2
[M+NH4]+ 254.12878 166.7
[M+K]+ 275.05812 158.3
[M+H-H2O]+ 219.09222 144.6
[M+HCOO]- 281.09316 170.6
[M+CH3COO]- 295.10881 163.5
[M+Na-2H]- 257.06963 159.7
[M]+ 236.09441 147.0
[M]- 236.09551 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe