CID 5320053
Neobavaisoflavone
Structural Information
- Molecular Formula
- C20H18O4
- SMILES
- CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
- InChI
- InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
- InChIKey
- OBGPEBYHGIUFBN-UHFFFAOYSA-N
- Compound name
- 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 323.12778 | 175.0 |
[M+Na]+ | 345.10972 | 184.1 |
[M-H]- | 321.11322 | 181.5 |
[M+NH4]+ | 340.15432 | 188.0 |
[M+K]+ | 361.08366 | 179.7 |
[M+H-H2O]+ | 305.11776 | 167.2 |
[M+HCOO]- | 367.11870 | 193.2 |
[M+CH3COO]- | 381.13435 | 206.2 |
[M+Na-2H]- | 343.09517 | 178.1 |
[M]+ | 322.11995 | 177.4 |
[M]- | 322.12105 | 177.4 |