CID 109582

1-(2-stearoyloxyethyl)-2-heptadecylimidazoline acetate

Structural Information

Molecular Formula
C40H78N2O2
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey
BEGOFGGVFXBVLG-UHFFFAOYSA-N
Compound name
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

618.6063 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.61358 274.7
[M+Na]+ 641.59552 275.5
[M-H]- 617.59902 246.5
[M+NH4]+ 636.64012 265.9
[M+K]+ 657.56946 260.1
[M+H-H2O]+ 601.60356 261.7
[M+HCOO]- 663.60450 276.1
[M+CH3COO]- 677.62015 271.3
[M+Na-2H]- 639.58097 261.8
[M]+ 618.60575 266.8
[M]- 618.60685 266.8
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

patents stripe