CID 6366284
Einecs 299-620-4
Structural Information
- Molecular Formula
- C22H43N3O
- SMILES
- CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCN
- InChI
- InChI=1S/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26)/b7-6+,10-9+
- InChIKey
- YEPGQAAGPHDRPO-AVQMFFATSA-N
- Compound name
- (9E,12E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12-dienamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.34788 | 199.9 |
[M+Na]+ | 388.32982 | 198.6 |
[M-H]- | 364.33332 | 196.6 |
[M+NH4]+ | 383.37442 | 211.2 |
[M+K]+ | 404.30376 | 193.2 |
[M+H-H2O]+ | 348.33786 | 191.1 |
[M+HCOO]- | 410.33880 | 220.7 |
[M+CH3COO]- | 424.35445 | 227.8 |
[M+Na-2H]- | 386.31527 | 197.2 |
[M]+ | 365.34005 | 202.1 |
[M]- | 365.34115 | 202.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.