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

7
Patents

229.1579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 150.7
[M+Na]+ 252.147118 156.3
[M-H]- 228.150624 153.5
[M+NH4]+ 247.191723 167.4
[M+K]+ 268.121058 150.9
[M+H-H2O]+ 212.155160 141.9
[M+HCOO]- 274.156101 169.8
[M+CH3COO]- 288.171751 161.4
[M+Na-2H]- 250.132566 156.5
[M]+ 229.15735142 145.4
[M]- 229.15844858 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