CID 24847193
Brn 4516447
Structural Information
- Molecular Formula
- C13H8ClN3OS
- SMILES
- C1C2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)C4=CC=CO4
- InChI
- InChI=1S/C13H8ClN3OS/c14-8-3-4-9-11(6-8)19-7-12-15-16-13(17(9)12)10-2-1-5-18-10/h1-6H,7H2
- InChIKey
- WXMYOQVHGQKIQI-UHFFFAOYSA-N
- Compound name
- 7-chloro-1-(furan-2-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 290.01494 | 160.3 |
[M+Na]+ | 311.99688 | 174.8 |
[M-H]- | 288.00038 | 167.4 |
[M+NH4]+ | 307.04148 | 178.5 |
[M+K]+ | 327.97082 | 169.9 |
[M+H-H2O]+ | 272.00492 | 153.9 |
[M+HCOO]- | 334.00586 | 172.5 |
[M+CH3COO]- | 348.02151 | 173.8 |
[M+Na-2H]- | 309.98233 | 163.3 |
[M]+ | 289.00711 | 167.7 |
[M]- | 289.00821 | 167.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.