CID 83073

30473-39-3

Structural Information

Molecular Formula
C24H47N2O3
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
InChI
InChI=1S/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29/h27H,2-22H2,1H3/p+1
InChIKey
LNCJHVLXANMHHD-UHFFFAOYSA-O
Compound name
2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

411.35867 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.36595 208.8
[M+Na]+ 434.34789 216.1
[M+NH4]+ 429.39249 214.3
[M+K]+ 450.32183 209.2
[M-H]- 410.35139 207.6
[M+Na-2H]- 432.33334 209.5
[M]+ 411.35812 209.5
[M]- 411.35922 209.5
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