CID 79868

2-heptadecyl-1h-benzimidazole

Structural Information

Molecular Formula
C24H40N2
SMILES
CCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20H,2-16,21H2,1H3,(H,25,26)
InChIKey
HBTSVVOLHPRTJA-UHFFFAOYSA-N
Compound name
2-heptadecyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

356.31915 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.32643 196.5
[M+Na]+ 379.30837 200.1
[M-H]- 355.31187 194.6
[M+NH4]+ 374.35297 209.0
[M+K]+ 395.28231 192.5
[M+H-H2O]+ 339.31641 186.6
[M+HCOO]- 401.31735 213.8
[M+CH3COO]- 415.33300 217.1
[M+Na-2H]- 377.29382 196.8
[M]+ 356.31860 202.0
[M]- 356.31970 202.0
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

patents stripe