CID 100175
N-(phenoxyacetyl)deacetylcolchicine
Structural Information
- Molecular Formula
- C28H29NO7
- SMILES
- COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4
- InChI
- InChI=1S/C28H29NO7/c1-32-23-13-11-19-20(15-22(23)30)21(29-25(31)16-36-18-8-6-5-7-9-18)12-10-17-14-24(33-2)27(34-3)28(35-4)26(17)19/h5-9,11,13-15,21H,10,12,16H2,1-4H3,(H,29,31)
- InChIKey
- GQILPBLGDOWLSP-UHFFFAOYSA-N
- Compound name
- 2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 492.20168 | 219.6 |
[M+Na]+ | 514.18362 | 226.3 |
[M-H]- | 490.18712 | 230.2 |
[M+NH4]+ | 509.22822 | 227.9 |
[M+K]+ | 530.15756 | 231.0 |
[M+H-H2O]+ | 474.19166 | 215.2 |
[M+HCOO]- | 536.19260 | 236.1 |
[M+CH3COO]- | 550.20825 | 243.9 |
[M+Na-2H]- | 512.16907 | 219.4 |
[M]+ | 491.19385 | 222.8 |
[M]- | 491.19495 | 222.8 |
Literature stripe
No literature data available for this compound.