CID 102146306
3'-n-acetyl-4'-o-(9-octadecenoyl)fusarochromanone
Structural Information
- Molecular Formula
- C35H54N2O6
- SMILES
- CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
- InChI
- InChI=1S/C35H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h12-13,21-22,27H,5-11,14-20,23-25,36H2,1-4H3,(H,37,38)/b13-12+
- InChIKey
- WJXUBXRBIJRVSJ-OUKQBFOZSA-N
- Compound name
- [2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] (E)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 599.40548 | 256.2 |
[M+Na]+ | 621.38742 | 254.2 |
[M-H]- | 597.39092 | 256.7 |
[M+NH4]+ | 616.43202 | 259.4 |
[M+K]+ | 637.36136 | 250.9 |
[M+H-H2O]+ | 581.39546 | 247.0 |
[M+HCOO]- | 643.39640 | 267.1 |
[M+CH3COO]- | 657.41205 | 271.0 |
[M+Na-2H]- | 619.37287 | 247.8 |
[M]+ | 598.39765 | 263.4 |
[M]- | 598.39875 | 263.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.