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

0
Patents

257.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.19648 161.0
[M+Na]+ 280.17842 167.0
[M-H]- 256.18192 164.7
[M+NH4]+ 275.22302 177.4
[M+K]+ 296.15236 161.7
[M+H-H2O]+ 240.18646 151.7
[M+HCOO]- 302.18740 180.2
[M+CH3COO]- 316.20305 171.5
[M+Na-2H]- 278.16387 164.3
[M]+ 257.18865 157.6
[M]- 257.18975 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.