CID 166559
Axitirome
Structural Information
- Molecular Formula
- C25H24FNO6
- SMILES
- CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
- InChI
- InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
- InChIKey
- FUBBWDWIGBTUPQ-UHFFFAOYSA-N
- Compound name
- ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 454.16603 | 207.8 |
[M+Na]+ | 476.14797 | 213.2 |
[M-H]- | 452.15147 | 214.0 |
[M+NH4]+ | 471.19257 | 214.6 |
[M+K]+ | 492.12191 | 209.8 |
[M+H-H2O]+ | 436.15601 | 197.0 |
[M+HCOO]- | 498.15695 | 224.9 |
[M+CH3COO]- | 512.17260 | 233.4 |
[M+Na-2H]- | 474.13342 | 204.0 |
[M]+ | 453.15820 | 210.0 |
[M]- | 453.15930 | 210.0 |