CID 91292

25141-05-3

Structural Information

Molecular Formula
C24H49N2O
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO
InChI
InChI=1S/C24H49N2O/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/h27H,3-23H2,1-2H3/q+1
InChIKey
JQVAIHWXOXBIMN-UHFFFAOYSA-N
Compound name
2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

381.3845 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.39178 203.6
[M+Na]+ 404.37372 204.7
[M-H]- 380.37722 200.4
[M+NH4]+ 399.41832 216.1
[M+K]+ 420.34766 193.6
[M+H-H2O]+ 364.38176 197.5
[M+HCOO]- 426.38270 218.1
[M+CH3COO]- 440.39835 215.4
[M+Na-2H]- 402.35917 203.2
[M]+ 381.38395 207.6
[M]- 381.38505 207.6
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