CID 364834

Nsc631624

Structural Information

Molecular Formula
C21H16N2
SMILES
C1C(=NC2=CC=CC=C2N=C1C3=CC=CC=C3)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/h1-14H,15H2
InChIKey
GIORJBTWCGPEFN-UHFFFAOYSA-N
Compound name
2,4-diphenyl-3H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

296.13135 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13863 173.1
[M+Na]+ 319.12057 180.6
[M-H]- 295.12407 181.7
[M+NH4]+ 314.16517 185.3
[M+K]+ 335.09451 177.6
[M+H-H2O]+ 279.12861 163.7
[M+HCOO]- 341.12955 192.7
[M+CH3COO]- 355.14520 183.5
[M+Na-2H]- 317.10602 180.6
[M]+ 296.13080 169.3
[M]- 296.13190 169.3
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

patents stripe