CID 62508207

1493318-64-1

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1=CC(=CC=C1CCN2C=NC3=C2C=CC(=C3)N)Cl
InChI
InChI=1S/C15H14ClN3/c16-12-3-1-11(2-4-12)7-8-19-10-18-14-9-13(17)5-6-15(14)19/h1-6,9-10H,7-8,17H2
InChIKey
VEEUZMFPRKMESM-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.094896 160.9
[M+Na]+ 294.076838 172.3
[M-H]- 270.080344 166.0
[M+NH4]+ 289.121443 178.1
[M+K]+ 310.050778 164.8
[M+H-H2O]+ 254.084880 152.6
[M+HCOO]- 316.085821 180.0
[M+CH3COO]- 330.101471 173.4
[M+Na-2H]- 292.062286 166.4
[M]+ 271.08707142 164.0
[M]- 271.08816858 164.0
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.