CID 121428312
1951467-29-0
Structural Information
- Molecular Formula
- C24H25FO6S
- SMILES
- CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C3=CC=C(S3)C4=CC=C(C=C4)F)O
- InChI
- InChI=1S/C24H25FO6S/c1-12-2-3-14(24-23(30)22(29)21(28)17(11-26)31-24)10-16(12)20(27)19-9-8-18(32-19)13-4-6-15(25)7-5-13/h2-10,17,20-24,26-30H,11H2,1H3/t17-,20?,21-,22+,23-,24+/m1/s1
- InChIKey
- IXYKXBFQESXJOP-WNTZTFLTSA-N
- Compound name
- (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 461.14288 | 205.7 |
[M+Na]+ | 483.12482 | 210.9 |
[M-H]- | 459.12832 | 211.9 |
[M+NH4]+ | 478.16942 | 211.8 |
[M+K]+ | 499.09876 | 205.8 |
[M+H-H2O]+ | 443.13286 | 197.9 |
[M+HCOO]- | 505.13380 | 211.7 |
[M+CH3COO]- | 519.14945 | 224.0 |
[M+Na-2H]- | 481.11027 | 198.5 |
[M]+ | 460.13505 | 204.3 |
[M]- | 460.13615 | 204.3 |
Literature stripe
No literature data available for this compound.