CID 5335569

80144-04-3

Structural Information

Molecular Formula
C17H12ClN3
SMILES
CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CC=C3Cl)/C#N
InChI
InChI=1S/C17H12ClN3/c1-11-6-7-15-16(8-11)21-17(20-15)13(10-19)9-12-4-2-3-5-14(12)18/h2-9H,1H3,(H,20,21)/b13-9+
InChIKey
UWIMJMZZEGWLPE-UKTHLTGXSA-N
Compound name
(E)-3-(2-chlorophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07196 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07924 168.7
[M+Na]+ 316.06118 184.2
[M+NH4]+ 311.10578 173.8
[M+K]+ 332.03512 173.6
[M-H]- 292.06468 164.9
[M+Na-2H]- 314.04663 174.0
[M]+ 293.07141 169.4
[M]- 293.07251 169.4
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.