CID 14188384
Mallotus a
Structural Information
- Molecular Formula
- C20H18O5
- SMILES
- CC1(C=CC2=C(C(=C(C(=C2O1)O)O)C(=O)/C=C/C3=CC=CC=C3)O)C
- InChI
- InChI=1S/C20H18O5/c1-20(2)11-10-13-16(22)15(17(23)18(24)19(13)25-20)14(21)9-8-12-6-4-3-5-7-12/h3-11,22-24H,1-2H3/b9-8+
- InChIKey
- FABXIJPMRMBJEW-CMDGGOBGSA-N
- Compound name
- (E)-3-phenyl-1-(5,7,8-trihydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.12270 | 178.7 |
[M+Na]+ | 361.10464 | 187.3 |
[M-H]- | 337.10814 | 183.8 |
[M+NH4]+ | 356.14924 | 192.2 |
[M+K]+ | 377.07858 | 183.3 |
[M+H-H2O]+ | 321.11268 | 171.6 |
[M+HCOO]- | 383.11362 | 194.1 |
[M+CH3COO]- | 397.12927 | 206.2 |
[M+Na-2H]- | 359.09009 | 181.9 |
[M]+ | 338.11487 | 179.9 |
[M]- | 338.11597 | 179.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.