CID 15764

1824-69-7

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8,15,17H,9H2,(H,18,19)
InChIKey
GYQOYYFIHYKFEO-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

272.07166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.8
[M+Na]+ 295.06088 173.2
[M+NH4]+ 290.10548 167.6
[M+K]+ 311.03482 166.4
[M-H]- 271.06438 162.9
[M+Na-2H]- 293.04633 167.1
[M]+ 272.07111 162.9
[M]- 272.07221 162.9
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