CID 59435

5-chloro-2-benzylaminomethyl benzimidazole dihydrochloride

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1=CC=C(C=C1)CNCC2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C15H14ClN3/c16-12-6-7-13-14(8-12)19-15(18-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKey
UMAFQOCISKEEPQ-UHFFFAOYSA-N
Compound name
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09490 159.5
[M+Na]+ 294.07684 169.4
[M-H]- 270.08034 163.3
[M+NH4]+ 289.12144 175.9
[M+K]+ 310.05078 161.5
[M+H-H2O]+ 254.08488 151.1
[M+HCOO]- 316.08582 177.7
[M+CH3COO]- 330.10147 171.2
[M+Na-2H]- 292.06229 166.4
[M]+ 271.08707 161.3
[M]- 271.08817 161.3
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.