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]+ 265.13353 161.4
[M+Na]+ 287.11547 169.6
[M-H]- 263.11897 166.6
[M+NH4]+ 282.16007 175.2
[M+K]+ 303.08941 168.1
[M+H-H2O]+ 247.12351 153.5
[M+HCOO]- 309.12445 178.9
[M+CH3COO]- 323.14010 172.3
[M+Na-2H]- 285.10092 166.3
[M]+ 264.12570 157.4
[M]- 264.12680 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.