CID 13802644
6'-hydroxy-3,4,2',3',4'-pentamethoxychalcone
Structural Information
- Molecular Formula
- C20H22O7
- SMILES
- COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC
- InChI
- InChI=1S/C20H22O7/c1-23-15-9-7-12(10-16(15)24-2)6-8-13(21)18-14(22)11-17(25-3)19(26-4)20(18)27-5/h6-11,22H,1-5H3/b8-6+
- InChIKey
- YYGVWBCOVUSNQT-SOFGYWHQSA-N
- Compound name
- (E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 375.14385 | 184.2 |
[M+Na]+ | 397.12579 | 192.5 |
[M-H]- | 373.12929 | 190.3 |
[M+NH4]+ | 392.17039 | 196.1 |
[M+K]+ | 413.09973 | 190.8 |
[M+H-H2O]+ | 357.13383 | 175.7 |
[M+HCOO]- | 419.13477 | 205.6 |
[M+CH3COO]- | 433.15042 | 218.2 |
[M+Na-2H]- | 395.11124 | 183.7 |
[M]+ | 374.13602 | 193.8 |
[M]- | 374.13712 | 193.8 |