CID 88763

21054-72-8

Structural Information

Molecular Formula
C23H37N2
SMILES
CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2
InChI
InChI=1S/C23H37N2/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23/h12-14,16-17,19-20H,3-11,15,18,21H2,1-2H3/q+1
InChIKey
SFHLQWDTFRLTLY-UHFFFAOYSA-N
Compound name
1-benzyl-3-dodecyl-2-methylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3674
Patents

341.2957 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.30298 193.7
[M+Na]+ 364.28492 198.0
[M-H]- 340.28842 196.3
[M+NH4]+ 359.32952 206.2
[M+K]+ 380.25886 186.4
[M+H-H2O]+ 324.29296 186.0
[M+HCOO]- 386.29390 212.7
[M+CH3COO]- 400.30955 210.0
[M+Na-2H]- 362.27037 195.0
[M]+ 341.29515 197.1
[M]- 341.29625 197.1
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