CID 506506
1-[(3,4-dichlorophenyl)methyl]-3-ethyl-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-one
Structural Information
- Molecular Formula
- C16H14Cl2N2O3S
- SMILES
- CCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC(=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C16H14Cl2N2O3S/c1-2-19-16(21)12-5-3-4-6-15(12)20(24(19,22)23)10-11-7-8-13(17)14(18)9-11/h3-9H,2,10H2,1H3
- InChIKey
- VUNBHRVVBZOSRX-UHFFFAOYSA-N
- Compound name
- 1-[(3,4-dichlorophenyl)methyl]-3-ethyl-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.01750 | 177.7 |
[M+Na]+ | 406.99944 | 190.2 |
[M-H]- | 383.00294 | 182.9 |
[M+NH4]+ | 402.04404 | 192.2 |
[M+K]+ | 422.97338 | 183.1 |
[M+H-H2O]+ | 367.00748 | 171.1 |
[M+HCOO]- | 429.00842 | 182.2 |
[M+CH3COO]- | 443.02407 | 188.5 |
[M+Na-2H]- | 404.98489 | 179.8 |
[M]+ | 384.00967 | 184.6 |
[M]- | 384.01077 | 184.6 |
Literature stripe
Patent stripe
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