CID 71709

2h-1,5-benzodiazepin-2-one, 8-chloro-1,3,4,5-tetrahydro-1-phenyl-

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1CNC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c16-11-6-7-13-14(10-11)18(15(19)8-9-17-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKey
IUJQOUHDFKALCY-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

272.07166 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.2
[M+Na]+ 295.06088 167.8
[M-H]- 271.06438 163.5
[M+NH4]+ 290.10548 173.3
[M+K]+ 311.03482 165.3
[M+H-H2O]+ 255.06892 151.1
[M+HCOO]- 317.06986 171.8
[M+CH3COO]- 331.08551 169.8
[M+Na-2H]- 293.04633 164.5
[M]+ 272.07111 154.8
[M]- 272.07221 154.8
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.