CID 105489

67633-58-3

Structural Information

Molecular Formula
C29H51N2O
SMILES
CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2
InChI
InChI=1S/C29H51N2O/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3/q+1
InChIKey
UAERNUULQZYCNM-UHFFFAOYSA-N
Compound name
2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

575
Patents

443.40015 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.40743 221.2
[M+Na]+ 466.38937 220.8
[M-H]- 442.39287 220.9
[M+NH4]+ 461.43397 230.4
[M+K]+ 482.36331 208.3
[M+H-H2O]+ 426.39741 213.2
[M+HCOO]- 488.39835 234.3
[M+CH3COO]- 502.41400 226.1
[M+Na-2H]- 464.37482 218.9
[M]+ 443.39960 223.6
[M]- 443.40070 223.6
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