CID 59458

2-heptylaminomethylbenzimidazole dihydrochloride

Structural Information

Molecular Formula
C15H23N3
SMILES
CCCCCCCNCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C15H23N3/c1-2-3-4-5-8-11-16-12-15-17-13-9-6-7-10-14(13)18-15/h6-7,9-10,16H,2-5,8,11-12H2,1H3,(H,17,18)
InChIKey
UGFGKBJDDPXJLW-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.1892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.19648 158.6
[M+Na]+ 268.17842 165.5
[M-H]- 244.18192 158.6
[M+NH4]+ 263.22302 175.5
[M+K]+ 284.15236 160.1
[M+H-H2O]+ 228.18646 150.3
[M+HCOO]- 290.18740 180.3
[M+CH3COO]- 304.20305 195.2
[M+Na-2H]- 266.16387 164.6
[M]+ 245.18865 160.5
[M]- 245.18975 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.