CID 261367
3-(4-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7-yl acetate
Structural Information
- Molecular Formula
- C19H16O5
- SMILES
- CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC
- InChI
- InChI=1S/C19H16O5/c1-11-18(13-4-6-14(22-3)7-5-13)19(21)16-9-8-15(24-12(2)20)10-17(16)23-11/h4-10H,1-3H3
- InChIKey
- KGJXTDUSFWAIMJ-UHFFFAOYSA-N
- Compound name
- [3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 325.10704 | 171.8 |
[M+Na]+ | 347.08898 | 188.4 |
[M+NH4]+ | 342.13358 | 179.3 |
[M+K]+ | 363.06292 | 181.4 |
[M-H]- | 323.09248 | 177.5 |
[M+Na-2H]- | 345.07443 | 179.4 |
[M]+ | 324.09921 | 176.0 |
[M]- | 324.10031 | 176.0 |