CID 59435

102516-85-8

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]+ 272.094896 159.5
[M+Na]+ 294.076838 169.4
[M-H]- 270.080344 163.3
[M+NH4]+ 289.121443 175.9
[M+K]+ 310.050778 161.5
[M+H-H2O]+ 254.084880 151.1
[M+HCOO]- 316.085821 177.7
[M+CH3COO]- 330.101471 171.2
[M+Na-2H]- 292.062286 166.4
[M]+ 271.08707142 161.3
[M]- 271.08816858 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.