CID 5463326

Alpha-(phenylmethylene)-1h-benzimidazole-2-acetonitrile

Structural Information

Molecular Formula
C16H11N3
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H11N3/c17-11-13(10-12-6-2-1-3-7-12)16-18-14-8-4-5-9-15(14)19-16/h1-10H,(H,18,19)/b13-10+
InChIKey
YASZPDZHYPEICO-JLHYYAGUSA-N
Compound name
(E)-2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

245.09529 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.102566 161.8
[M+Na]+ 268.084508 172.6
[M-H]- 244.088014 163.5
[M+NH4]+ 263.129113 176.0
[M+K]+ 284.058448 163.4
[M+H-H2O]+ 228.092550 146.1
[M+HCOO]- 290.093491 178.5
[M+CH3COO]- 304.109141 171.3
[M+Na-2H]- 266.069956 166.3
[M]+ 245.09474142 155.0
[M]- 245.09583858 155.0
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.