CID 360997
Nsc623729
Structural Information
- Molecular Formula
- C16H11ClN2O2S
- SMILES
- C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl
- InChI
- InChI=1S/C16H11ClN2O2S/c17-10-4-3-5-11(8-10)18-16(21)13(20)9-15-19-12-6-1-2-7-14(12)22-15/h1-8H,9H2,(H,18,21)
- InChIKey
- LHHWGVDPVBQMPG-UHFFFAOYSA-N
- Compound name
- 3-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.03026 | 172.6 |
[M+Na]+ | 353.01220 | 182.7 |
[M-H]- | 329.01570 | 179.9 |
[M+NH4]+ | 348.05680 | 189.2 |
[M+K]+ | 368.98614 | 176.3 |
[M+H-H2O]+ | 313.02024 | 165.9 |
[M+HCOO]- | 375.02118 | 187.3 |
[M+CH3COO]- | 389.03683 | 184.5 |
[M+Na-2H]- | 350.99765 | 175.0 |
[M]+ | 330.02243 | 178.9 |
[M]- | 330.02353 | 178.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.