CID 110628

Einecs 271-833-7

Structural Information

Molecular Formula
C24H49N2O2
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO
InChI
InChI=1S/C24H49N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25-18-19-26(24,20-22-27)21-23-28/h27-28H,2-23H2,1H3/q+1
InChIKey
VXCVUGMCBWTHDH-UHFFFAOYSA-N
Compound name
2-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

397.3794 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.38668 206.8
[M+Na]+ 420.36862 214.9
[M+NH4]+ 415.41322 213.3
[M+K]+ 436.34256 206.7
[M-H]- 396.37212 206.6
[M+Na-2H]- 418.35407 208.3
[M]+ 397.37885 208.0
[M]- 397.37995 208.0
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

patents stripe