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

3482
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 190.3
[M+Na]+ 364.28492 204.7
[M+NH4]+ 359.32952 198.6
[M+K]+ 380.25886 196.5
[M-H]- 340.28842 195.3
[M+Na-2H]- 362.27037 197.3
[M]+ 341.29515 194.2
[M]- 341.29625 194.2
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