CID 5279641
Chembl188364
Structural Information
- Molecular Formula
- C18H13NO3S
- SMILES
- C1=CC=C(C=C1)NC(=O)CSC2=CC(=O)C3=CC=CC=C3C2=O
- InChI
- InChI=1S/C18H13NO3S/c20-15-10-16(18(22)14-9-5-4-8-13(14)15)23-11-17(21)19-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21)
- InChIKey
- NHRZEWNQIFSXGE-UHFFFAOYSA-N
- Compound name
- 2-(1,4-dioxonaphthalen-2-yl)sulfanyl-N-phenylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.06888 | 171.6 |
[M+Na]+ | 346.05082 | 179.0 |
[M-H]- | 322.05432 | 179.0 |
[M+NH4]+ | 341.09542 | 186.6 |
[M+K]+ | 362.02476 | 173.5 |
[M+H-H2O]+ | 306.05886 | 163.6 |
[M+HCOO]- | 368.05980 | 189.0 |
[M+CH3COO]- | 382.07545 | 208.2 |
[M+Na-2H]- | 344.03627 | 174.8 |
[M]+ | 323.06105 | 173.6 |
[M]- | 323.06215 | 173.6 |
Literature stripe
Patent stripe
No patent data available for this compound.