CID 59445

2-cyclohexylaminomethylbenzimidazole dihydrochloride

Structural Information

Molecular Formula
C14H19N3
SMILES
C1CCC(CC1)NCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H19N3/c1-2-6-11(7-3-1)15-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,16,17)
InChIKey
XXLIQOXUMQBRDG-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.1579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 150.7
[M+Na]+ 252.14712 156.3
[M-H]- 228.15062 153.5
[M+NH4]+ 247.19172 167.4
[M+K]+ 268.12106 150.9
[M+H-H2O]+ 212.15516 141.9
[M+HCOO]- 274.15610 169.8
[M+CH3COO]- 288.17175 161.4
[M+Na-2H]- 250.13257 156.5
[M]+ 229.15735 145.4
[M]- 229.15845 145.4
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

patents stripe