CID 109873

Einecs 269-414-9

Structural Information

Molecular Formula
C24H47N2O
SMILES
CC[N+]1(CCN=C1CCCCCCCCCCCCCCCC=C)CCO
InChI
InChI=1S/C24H47N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27/h3,27H,1,4-23H2,2H3/q+1
InChIKey
AURQPINWWHMMLG-UHFFFAOYSA-N
Compound name
2-(1-ethyl-2-heptadec-16-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.36884 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.37612 202.4
[M+Na]+ 402.35806 203.8
[M-H]- 378.36156 199.2
[M+NH4]+ 397.40266 214.8
[M+K]+ 418.33200 192.1
[M+H-H2O]+ 362.36610 196.4
[M+HCOO]- 424.36704 217.1
[M+CH3COO]- 438.38269 214.5
[M+Na-2H]- 400.34351 202.0
[M]+ 379.36829 205.7
[M]- 379.36939 205.7
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.