CID 10040339
5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
Structural Information
- Molecular Formula
- C19H22O3
- SMILES
- C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O
- InChI
- InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
- InChIKey
- UNMNJFPAJOHXMT-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.16418 | 172.5 |
[M+Na]+ | 321.14612 | 176.4 |
[M-H]- | 297.14962 | 175.5 |
[M+NH4]+ | 316.19072 | 185.6 |
[M+K]+ | 337.12006 | 171.7 |
[M+H-H2O]+ | 281.15416 | 164.6 |
[M+HCOO]- | 343.15510 | 190.9 |
[M+CH3COO]- | 357.17075 | 200.1 |
[M+Na-2H]- | 319.13157 | 173.7 |
[M]+ | 298.15635 | 172.2 |
[M]- | 298.15745 | 172.2 |