CID 5387537

Nsc624442

Structural Information

Molecular Formula
C22H16BrN3O
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H16BrN3O/c23-17-12-10-15(11-13-17)14-20(26-22(27)16-6-2-1-3-7-16)21-24-18-8-4-5-9-19(18)25-21/h1-14H,(H,24,25)(H,26,27)/b20-14-
InChIKey
YBFRETBEHFICDR-ZHZULCJRSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.04767 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.05495 191.9
[M+Na]+ 440.03689 201.0
[M-H]- 416.04039 200.9
[M+NH4]+ 435.08149 204.4
[M+K]+ 456.01083 186.6
[M+H-H2O]+ 400.04493 188.7
[M+HCOO]- 462.04587 209.8
[M+CH3COO]- 476.06152 202.5
[M+Na-2H]- 438.02234 196.3
[M]+ 417.04712 208.5
[M]- 417.04822 208.5
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.