CID 6437206

1h-imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt)

Structural Information

Molecular Formula
C24H47N2O
SMILES
CCCCCCCC/C=C/CCCCCCCC1=[N+](CCN1CC)CCO
InChI
InChI=1S/C24H47N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3/q+1/b12-11+
InChIKey
ZHNPQZLYPWYNLN-VAWYXSNFSA-N
Compound name
2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

379.36884 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.37612 207.2
[M+Na]+ 402.35806 208.8
[M-H]- 378.36156 204.3
[M+NH4]+ 397.40266 217.9
[M+K]+ 418.33200 197.1
[M+H-H2O]+ 362.36610 200.5
[M+HCOO]- 424.36704 222.0
[M+CH3COO]- 438.38269 215.4
[M+Na-2H]- 400.34351 204.7
[M]+ 379.36829 211.0
[M]- 379.36939 211.0
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