CID 116669

Fbv0nd411r

Structural Information

Molecular Formula
C42H84N3O
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H83N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-40H2,1-3H3/p+1
InChIKey
VLOFNFPRVGAXRF-UHFFFAOYSA-O
Compound name
N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

646.66144 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.66872 287.4
[M+Na]+ 669.65066 297.3
[M-H]- 645.65416 270.3
[M+NH4]+ 664.69526 285.8
[M+K]+ 685.62460 293.6
[M+H-H2O]+ 629.65870 282.6
[M+HCOO]- 691.65964 297.5
[M+CH3COO]- 705.67529 273.1
[M+Na-2H]- 667.63611 268.0
[M]+ 646.66089 284.8
[M]- 646.66199 284.8
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.