CID 105487

67633-57-2

Structural Information

Molecular Formula
C24H49N2O
SMILES
CC[N+]1(CCN=C1CCCCCCCCCCCCCCC(C)C)CCO
InChI
InChI=1S/C24H49N2O/c1-4-26(21-22-27)20-19-25-24(26)18-16-14-12-10-8-6-5-7-9-11-13-15-17-23(2)3/h23,27H,4-22H2,1-3H3/q+1
InChIKey
QVKDUMZZGVYDQD-UHFFFAOYSA-N
Compound name
2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

368
Patents

381.3845 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.39178 204.3
[M+Na]+ 404.37372 205.2
[M-H]- 380.37722 201.3
[M+NH4]+ 399.41832 216.7
[M+K]+ 420.34766 194.6
[M+H-H2O]+ 364.38176 198.5
[M+HCOO]- 426.38270 217.8
[M+CH3COO]- 440.39835 216.0
[M+Na-2H]- 402.35917 202.7
[M]+ 381.38395 207.7
[M]- 381.38505 207.7
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

patents stripe