CID 3066730
3-(2-benzoyl-4-nitrophenyl)-2-((4-bromophenyl)imino)-4-thiazolidinone
Structural Information
- Molecular Formula
- C22H14BrN3O4S
- SMILES
- C1C(=O)N(C(=NC2=CC=C(C=C2)Br)S1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
- InChI
- InChI=1S/C22H14BrN3O4S/c23-15-6-8-16(9-7-15)24-22-25(20(27)13-31-22)19-11-10-17(26(29)30)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2
- InChIKey
- CNRWLJIUNRVMOJ-UHFFFAOYSA-N
- Compound name
- 3-(2-benzoyl-4-nitrophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 495.99611 | 202.1 |
[M+Na]+ | 517.97805 | 209.7 |
[M-H]- | 493.98155 | 216.7 |
[M+NH4]+ | 513.02265 | 212.6 |
[M+K]+ | 533.95199 | 193.2 |
[M+H-H2O]+ | 477.98609 | 202.5 |
[M+HCOO]- | 539.98703 | 218.8 |
[M+CH3COO]- | 554.00268 | 228.1 |
[M+Na-2H]- | 515.96350 | 204.1 |
[M]+ | 494.98828 | 219.7 |
[M]- | 494.98938 | 219.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.