CID 44150073

93783-42-7

Structural Information

Molecular Formula
C24H49N2O2
SMILES
CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCO
InChI
InChI=1S/C24H49N2O2/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/h27-28H,2-23H2,1H3/q+1
InChIKey
XLFPKVJCULLEIH-UHFFFAOYSA-N
Compound name
2-[2-heptadecyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.3794 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.38668 207.9
[M+Na]+ 420.36862 216.1
[M+NH4]+ 415.41322 212.8
[M+K]+ 436.34256 210.1
[M-H]- 396.37212 207.7
[M+Na-2H]- 418.35407 207.4
[M]+ 397.37885 208.9
[M]- 397.37995 208.9
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.