CID 129205086
Azd-0284
Structural Information
- Molecular Formula
- C21H18F6N2O5S
- SMILES
- CC(=O)N1CC2=C([C@@H]1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)C
- InChI
- InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1
- InChIKey
- QYYZXEPEVBXNNA-QGZVFWFLSA-N
- Compound name
- (1R)-2-acetyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 525.09133 | 212.0 |
[M+Na]+ | 547.07327 | 218.8 |
[M-H]- | 523.07677 | 209.5 |
[M+NH4]+ | 542.11787 | 218.6 |
[M+K]+ | 563.04721 | 214.2 |
[M+H-H2O]+ | 507.08131 | 201.5 |
[M+HCOO]- | 569.08225 | 213.5 |
[M+CH3COO]- | 583.09790 | 238.5 |
[M+Na-2H]- | 545.05872 | 213.1 |
[M]+ | 524.08350 | 207.6 |
[M]- | 524.08460 | 207.6 |