CID 6447739
99541-66-9
Structural Information
- Molecular Formula
- C24H20N2O7S
- SMILES
- CC1(N(C(=O)/C(=C/C2=CC=CC=C2O)/S1)NC(=O)C3=CC=CC=C3O)C4=C(C(=C(C=C4)O)O)O
- InChI
- InChI=1S/C24H20N2O7S/c1-24(15-10-11-18(29)21(31)20(15)30)26(25-22(32)14-7-3-5-9-17(14)28)23(33)19(34-24)12-13-6-2-4-8-16(13)27/h2-12,27-31H,1H3,(H,25,32)/b19-12-
- InChIKey
- NDFYAZPAEGLSRX-UNOMPAQXSA-N
- Compound name
- 2-hydroxy-N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-4-oxo-2-(2,3,4-trihydroxyphenyl)-1,3-thiazolidin-3-yl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.10640 | 209.3 |
[M+Na]+ | 503.08834 | 215.5 |
[M-H]- | 479.09184 | 215.3 |
[M+NH4]+ | 498.13294 | 215.8 |
[M+K]+ | 519.06228 | 209.3 |
[M+H-H2O]+ | 463.09638 | 201.8 |
[M+HCOO]- | 525.09732 | 218.7 |
[M+CH3COO]- | 539.11297 | 228.1 |
[M+Na-2H]- | 501.07379 | 206.0 |
[M]+ | 480.09857 | 209.0 |
[M]- | 480.09967 | 209.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.