CID 105860
Einecs 267-453-6
Structural Information
- Molecular Formula
- C48H93N4O
- SMILES
- CCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C48H93N4O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-47-50-42-45-52(47,3)46-44-51(43-38-41-49)48(53)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-40,42-46H2,1-3H3/q+1
- InChIKey
- WHASYOTWZFNVPE-UHFFFAOYSA-N
- Compound name
- N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 742.74218 | 308.9 |
[M+Na]+ | 764.72412 | 319.9 |
[M-H]- | 740.72762 | 296.0 |
[M+NH4]+ | 759.76872 | 312.2 |
[M+K]+ | 780.69806 | 318.6 |
[M+H-H2O]+ | 724.73216 | 306.0 |
[M+HCOO]- | 786.73310 | 315.8 |
[M+CH3COO]- | 800.74875 | 293.5 |
[M+Na-2H]- | 762.70957 | 292.0 |
[M]+ | 741.73435 | 306.6 |
[M]- | 741.73545 | 306.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.