CID 13827681

Einecs 302-407-1

Structural Information

Molecular Formula
C23H47N2O
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCO
InChI
InChI=1S/C23H47N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23,2)21-22-26/h26H,3-22H2,1-2H3/q+1
InChIKey
ZSWOTLICJNGUEQ-UHFFFAOYSA-N
Compound name
2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.36884 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.37612 199.3
[M+Na]+ 390.35806 200.8
[M-H]- 366.36156 196.3
[M+NH4]+ 385.40266 212.3
[M+K]+ 406.33200 190.0
[M+H-H2O]+ 350.36610 193.4
[M+HCOO]- 412.36704 214.1
[M+CH3COO]- 426.38269 212.5
[M+Na-2H]- 388.34351 199.4
[M]+ 367.36829 203.0
[M]- 367.36939 203.0
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

No patent data available for this compound.