CID 63636852

2-[1-(cyclohexylmethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H23N3
SMILES
C1CCC(CC1)CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C16H23N3/c17-11-10-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2
InChIKey
OQIAMEBOFHFBBK-UHFFFAOYSA-N
Compound name
2-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 161.0
[M+Na]+ 280.178418 167.0
[M-H]- 256.181924 164.7
[M+NH4]+ 275.223023 177.4
[M+K]+ 296.152358 161.7
[M+H-H2O]+ 240.186460 151.7
[M+HCOO]- 302.187401 180.2
[M+CH3COO]- 316.203051 171.5
[M+Na-2H]- 278.163866 164.3
[M]+ 257.18865142 157.6
[M]- 257.18974858 157.6
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.