CID 122851
Licopyranocoumarin
Structural Information
- Molecular Formula
- C21H20O7
- SMILES
- CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO
- InChI
- InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3
- InChIKey
- MOBCUWLJOZHPQL-UHFFFAOYSA-N
- Compound name
- 7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.12818 | 188.6 |
[M+Na]+ | 407.11012 | 198.3 |
[M-H]- | 383.11362 | 195.5 |
[M+NH4]+ | 402.15472 | 199.9 |
[M+K]+ | 423.08406 | 196.8 |
[M+H-H2O]+ | 367.11816 | 180.1 |
[M+HCOO]- | 429.11910 | 201.6 |
[M+CH3COO]- | 443.13475 | 216.2 |
[M+Na-2H]- | 405.09557 | 193.8 |
[M]+ | 384.12035 | 193.2 |
[M]- | 384.12145 | 193.2 |