CID 45053371
3-{(5e)-4-oxo-2-thioxo-5-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1,3-thiazolidin-3-yl}benzoic acid
Structural Information
- Molecular Formula
- C23H20N2O3S2
- SMILES
- CC\1(C2=CC=CC=C2N(/C1=C/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O)C)C
- InChI
- InChI=1S/C23H20N2O3S2/c1-23(2)16-9-4-5-10-17(16)24(3)19(23)12-11-18-20(26)25(22(29)30-18)15-8-6-7-14(13-15)21(27)28/h4-13H,1-3H3,(H,27,28)/b18-11+,19-12+
- InChIKey
- JNKCSQFMRXPTGK-GDAWTGGTSA-N
- Compound name
- 3-[(5E)-4-oxo-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-3-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.09880 | 202.9 |
[M+Na]+ | 459.08074 | 213.1 |
[M-H]- | 435.08424 | 210.2 |
[M+NH4]+ | 454.12534 | 217.3 |
[M+K]+ | 475.05468 | 204.9 |
[M+H-H2O]+ | 419.08878 | 198.1 |
[M+HCOO]- | 481.08972 | 209.4 |
[M+CH3COO]- | 495.10537 | 211.8 |
[M+Na-2H]- | 457.06619 | 196.3 |
[M]+ | 436.09097 | 205.7 |
[M]- | 436.09207 | 205.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.