CID 3083845
Demethoxysudachitin
Structural Information
- Molecular Formula
- C17H14O7
- SMILES
- COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)O
- InChI
- InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3
- InChIKey
- SYGUVOLSUJYPPS-UHFFFAOYSA-N
- Compound name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.08122 | 171.1 |
[M+Na]+ | 353.06316 | 182.0 |
[M-H]- | 329.06666 | 177.4 |
[M+NH4]+ | 348.10776 | 183.3 |
[M+K]+ | 369.03710 | 180.1 |
[M+H-H2O]+ | 313.07120 | 163.4 |
[M+HCOO]- | 375.07214 | 189.9 |
[M+CH3COO]- | 389.08779 | 205.3 |
[M+Na-2H]- | 351.04861 | 175.5 |
[M]+ | 330.07339 | 177.4 |
[M]- | 330.07449 | 177.4 |