CID 3009968

1h-benzimidazole-2-methanamine, 5-chloro-n-methyl-a-phenyl-

Structural Information

Molecular Formula
C15H14ClN3
SMILES
CNC(C1=CC=CC=C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C15H14ClN3/c1-17-14(10-5-3-2-4-6-10)15-18-12-8-7-11(16)9-13(12)19-15/h2-9,14,17H,1H3,(H,18,19)
InChIKey
QLDRHOPIXSNAQK-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09490 159.9
[M+Na]+ 294.07684 169.5
[M-H]- 270.08034 163.9
[M+NH4]+ 289.12144 176.2
[M+K]+ 310.05078 162.1
[M+H-H2O]+ 254.08488 151.7
[M+HCOO]- 316.08582 177.2
[M+CH3COO]- 330.10147 171.5
[M+Na-2H]- 292.06229 165.7
[M]+ 271.08707 161.2
[M]- 271.08817 161.2
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.