CID 3680711
763126-21-2
Structural Information
- Molecular Formula
- C22H19F3N2O3S
- SMILES
- C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)O
- InChI
- InChI=1S/C22H19F3N2O3S/c23-22(24,25)30-18-9-5-17(6-10-18)27-21(29)14-31-19-11-7-16(8-12-19)26-13-15-3-1-2-4-20(15)28/h1-12,26,28H,13-14H2,(H,27,29)
- InChIKey
- ISHNQSXEBRLWQM-UHFFFAOYSA-N
- Compound name
- 2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 449.11412 | 200.5 |
[M+Na]+ | 471.09606 | 205.6 |
[M-H]- | 447.09956 | 204.2 |
[M+NH4]+ | 466.14066 | 208.0 |
[M+K]+ | 487.07000 | 198.5 |
[M+H-H2O]+ | 431.10410 | 188.1 |
[M+HCOO]- | 493.10504 | 213.8 |
[M+CH3COO]- | 507.12069 | 229.8 |
[M+Na-2H]- | 469.08151 | 201.5 |
[M]+ | 448.10629 | 198.9 |
[M]- | 448.10739 | 198.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.