CID 171534

56662-52-3

Structural Information

Molecular Formula
C31H48N2
SMILES
CCCCCCCCCCCCCCCCCC1NC2=CC=CC=C2N1CC3=CC=CC=C3
InChI
InChI=1S/C31H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-31-32-29-24-20-21-25-30(29)33(31)27-28-22-17-16-18-23-28/h16-18,20-25,31-32H,2-15,19,26-27H2,1H3
InChIKey
AJATUGKHKMBOFD-UHFFFAOYSA-N
Compound name
3-benzyl-2-heptadecyl-1,2-dihydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.38174 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.38902 222.5
[M+Na]+ 471.37096 223.0
[M-H]- 447.37446 222.6
[M+NH4]+ 466.41556 230.6
[M+K]+ 487.34490 213.5
[M+H-H2O]+ 431.37900 210.6
[M+HCOO]- 493.37994 235.8
[M+CH3COO]- 507.39559 234.9
[M+Na-2H]- 469.35641 218.5
[M]+ 448.38119 225.0
[M]- 448.38229 225.0
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.