CID 59443

5(or 6)chloro-2-(p-methoxybenzyl)benzimidazole hydrochloride

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
COC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O/c1-19-12-5-2-10(3-6-12)8-15-17-13-7-4-11(16)9-14(13)18-15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey
FCOUPXKPTIHONH-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.07166 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.7
[M+Na]+ 295.06088 176.8
[M+NH4]+ 290.10548 168.9
[M+K]+ 311.03482 169.3
[M-H]- 271.06438 163.7
[M+Na-2H]- 293.04633 168.9
[M]+ 272.07111 163.8
[M]- 272.07221 163.8
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

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