CID 6437151

Einecs 267-353-2

Structural Information

Molecular Formula
C24H47N2O2
SMILES
CCCCCCCC/C=C/CCCCCCCC1=[N+](CCN1CCO)CCO
InChI
InChI=1S/C24H47N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28/h9-10,27-28H,2-8,11-23H2,1H3/q+1/b10-9+
InChIKey
BYHJVCUSBYBECJ-MDZDMXLPSA-N
Compound name
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

395.36374 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.37102 210.0
[M+Na]+ 418.35296 210.9
[M-H]- 394.35646 205.6
[M+NH4]+ 413.39756 219.1
[M+K]+ 434.32690 198.9
[M+H-H2O]+ 378.36100 203.3
[M+HCOO]- 440.36194 223.5
[M+CH3COO]- 454.37759 214.6
[M+Na-2H]- 416.33841 207.2
[M]+ 395.36319 213.3
[M]- 395.36429 213.3
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.