CID 91663273

Mze1e3a2zs

Structural Information

Molecular Formula
C25H51N2O
SMILES
CC[N+]1(CCN=C1CCCCCCCCCCCCCCCC(C)C)CCO
InChI
InChI=1S/C25H51N2O/c1-4-27(22-23-28)21-20-26-25(27)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(2)3/h24,28H,4-23H2,1-3H3/q+1
InChIKey
GPQWSFCOADBXAX-UHFFFAOYSA-N
Compound name
2-[1-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

395.40015 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.40743 208.6
[M+Na]+ 418.38937 209.1
[M-H]- 394.39287 205.4
[M+NH4]+ 413.43397 220.5
[M+K]+ 434.36331 198.2
[M+H-H2O]+ 378.39741 202.6
[M+HCOO]- 440.39835 221.8
[M+CH3COO]- 454.41400 219.0
[M+Na-2H]- 416.37482 206.5
[M]+ 395.39960 212.4
[M]- 395.40070 212.4
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.