CID 238783
2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-cyclopentanone
Structural Information
- Molecular Formula
- C21H20O5
- SMILES
- COC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O
- InChI
- InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3
- InChIKey
- NZSRSKNDCCSSGY-UHFFFAOYSA-N
- Compound name
- 2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 353.13835 | 181.9 |
[M+Na]+ | 375.12029 | 189.5 |
[M-H]- | 351.12379 | 189.7 |
[M+NH4]+ | 370.16489 | 195.6 |
[M+K]+ | 391.09423 | 183.9 |
[M+H-H2O]+ | 335.12833 | 174.5 |
[M+HCOO]- | 397.12927 | 201.6 |
[M+CH3COO]- | 411.14492 | 208.8 |
[M+Na-2H]- | 373.10574 | 179.4 |
[M]+ | 352.13052 | 182.4 |
[M]- | 352.13162 | 182.4 |