CID 3071988
Acetic acid, (4-(2-(((4-chlorophenyl)sulfonyl)oxy)ethyl)-2-((4-(4-phenylbutoxy)benzoyl)amino)phenoxy)-
Structural Information
- Molecular Formula
- C33H32ClNO8S
- SMILES
- C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)CCOS(=O)(=O)C4=CC=C(C=C4)Cl)OCC(=O)O
- InChI
- InChI=1S/C33H32ClNO8S/c34-27-12-16-29(17-13-27)44(39,40)43-21-19-25-9-18-31(42-23-32(36)37)30(22-25)35-33(38)26-10-14-28(15-11-26)41-20-5-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-18,22H,4-5,8,19-21,23H2,(H,35,38)(H,36,37)
- InChIKey
- IEKGWEXVPPMDGZ-UHFFFAOYSA-N
- Compound name
- 2-[4-[2-(4-chlorophenyl)sulfonyloxyethyl]-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 638.16098 | 247.1 |
[M+Na]+ | 660.14292 | 248.9 |
[M-H]- | 636.14642 | 256.9 |
[M+NH4]+ | 655.18752 | 246.8 |
[M+K]+ | 676.11686 | 243.9 |
[M+H-H2O]+ | 620.15096 | 235.4 |
[M+HCOO]- | 682.15190 | 256.1 |
[M+CH3COO]- | 696.16755 | 259.4 |
[M+Na-2H]- | 658.12837 | 246.5 |
[M]+ | 637.15315 | 257.1 |
[M]- | 637.15425 | 257.1 |
Literature stripe
No literature data available for this compound.