CID 268099

7,8-dimethyl-4-phenyl-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC2=C(C=C1C)N=C(CC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-11-8-15-16(9-12(11)2)19-17(20)10-14(18-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKey
INDZHLYDGYUHKM-UHFFFAOYSA-N
Compound name
7,8-dimethyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.133526 161.4
[M+Na]+ 287.115468 169.6
[M-H]- 263.118974 166.6
[M+NH4]+ 282.160073 175.2
[M+K]+ 303.089408 168.1
[M+H-H2O]+ 247.123510 153.5
[M+HCOO]- 309.124451 178.9
[M+CH3COO]- 323.140101 172.3
[M+Na-2H]- 285.100916 166.3
[M]+ 264.12570142 157.4
[M]- 264.12679858 157.4
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

No patent data available for this compound.