CID 16429025
(5z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
Structural Information
- Molecular Formula
- C31H29N3O5S2
- SMILES
- COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)/SC2=S)OC
- InChI
- InChI=1S/C31H29N3O5S2/c1-36-24-12-10-20(16-26(24)38-3)14-15-33-30(35)28(41-31(33)40)18-22-19-34(23-8-6-5-7-9-23)32-29(22)21-11-13-25(37-2)27(17-21)39-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-
- InChIKey
- HXFOPHSEXXMVAB-VEILYXNESA-N
- Compound name
- (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 588.16213 | 241.3 |
[M+Na]+ | 610.14407 | 255.6 |
[M+NH4]+ | 605.18867 | 246.2 |
[M+K]+ | 626.11801 | 246.9 |
[M-H]- | 586.14757 | 248.5 |
[M+Na-2H]- | 608.12952 | 248.3 |
[M]+ | 587.15430 | 246.3 |
[M]- | 587.15540 | 246.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.