CID 54711774
3-benzylsulfanyl-4-hydroxy-5h-pyrano[3,2-c]chromen-2-one
Structural Information
- Molecular Formula
- C19H14O4S
- SMILES
- C1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2O)SCC4=CC=CC=C4
- InChI
- InChI=1S/C19H14O4S/c20-16-14-10-22-15-9-5-4-8-13(15)17(14)23-19(21)18(16)24-11-12-6-2-1-3-7-12/h1-9,20H,10-11H2
- InChIKey
- FCAHPEZNIIEQCV-UHFFFAOYSA-N
- Compound name
- 3-benzylsulfanyl-4-hydroxy-5H-pyrano[3,2-c]chromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.06856 | 173.2 |
[M+Na]+ | 361.05050 | 183.0 |
[M-H]- | 337.05400 | 182.2 |
[M+NH4]+ | 356.09510 | 186.1 |
[M+K]+ | 377.02444 | 179.8 |
[M+H-H2O]+ | 321.05854 | 165.4 |
[M+HCOO]- | 383.05948 | 187.0 |
[M+CH3COO]- | 397.07513 | 184.7 |
[M+Na-2H]- | 359.03595 | 179.8 |
[M]+ | 338.06073 | 178.3 |
[M]- | 338.06183 | 178.3 |
Literature stripe
No literature data available for this compound.
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No patent data available for this compound.