CID 407897

2,4-diphenyl-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C21H16N2
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C3N2)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)22-20/h1-15,22H
InChIKey
PZRXQNCXDUBZHC-UHFFFAOYSA-N
Compound name
2,4-diphenyl-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.13135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13863 173.2
[M+Na]+ 319.12057 180.2
[M-H]- 295.12407 180.5
[M+NH4]+ 314.16517 184.7
[M+K]+ 335.09451 176.6
[M+H-H2O]+ 279.12861 164.1
[M+HCOO]- 341.12955 191.4
[M+CH3COO]- 355.14520 183.0
[M+Na-2H]- 317.10602 180.3
[M]+ 296.13080 167.7
[M]- 296.13190 167.7
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.