CID 21589267
Jamaicamide c
Structural Information
- Molecular Formula
- C27H39ClN2O4
- SMILES
- CC1C=CC(=O)N1C(=O)/C=C(\CCNC(=O)CC/C=C/C(C)CC/C(=C/Cl)/CCCC=C)/OC
- InChI
- InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+
- InChIKey
- PRVBXXHHHXSICY-GDKFLGFMSA-N
- Compound name
- (4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-(2-methyl-5-oxo-2H-pyrrol-1-yl)-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.26711 | 227.0 |
[M+Na]+ | 513.24905 | 228.2 |
[M-H]- | 489.25255 | 227.0 |
[M+NH4]+ | 508.29365 | 235.3 |
[M+K]+ | 529.22299 | 220.9 |
[M+H-H2O]+ | 473.25709 | 219.4 |
[M+HCOO]- | 535.25803 | 237.5 |
[M+CH3COO]- | 549.27368 | 241.8 |
[M+Na-2H]- | 511.23450 | 216.0 |
[M]+ | 490.25928 | 232.7 |
[M]- | 490.26038 | 232.7 |
Literature stripe
Patent stripe
No patent data available for this compound.