CID 289992

Phenyl(4-phenyl-1h-1,5-benzodiazepin-2-yl)methanone

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=C2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O/c25-22(17-11-5-2-6-12-17)21-15-20(16-9-3-1-4-10-16)23-18-13-7-8-14-19(18)24-21/h1-15,24H
InChIKey
RXDBRQDGFJSHAT-UHFFFAOYSA-N
Compound name
phenyl-(4-phenyl-1H-1,5-benzodiazepin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 179.4
[M+Na]+ 347.11547 185.9
[M-H]- 323.11897 186.8
[M+NH4]+ 342.16007 189.6
[M+K]+ 363.08941 182.9
[M+H-H2O]+ 307.12351 170.2
[M+HCOO]- 369.12445 196.8
[M+CH3COO]- 383.14010 188.6
[M+Na-2H]- 345.10092 185.1
[M]+ 324.12570 174.4
[M]- 324.12680 174.4
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.