CID 41954
1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)ethanone maleate
Structural Information
- Molecular Formula
- C13H17NO4S
- SMILES
- CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCOCC2
- InChI
- InChI=1S/C13H17NO4S/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14/h2-5H,6-10H2,1H3
- InChIKey
- WPVWXGFZOOMIKW-UHFFFAOYSA-N
- Compound name
- 1-(4-methylsulfonylphenyl)-2-morpholin-4-ylethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.09511 | 161.4 |
[M+Na]+ | 306.07705 | 167.2 |
[M-H]- | 282.08055 | 166.8 |
[M+NH4]+ | 301.12165 | 174.5 |
[M+K]+ | 322.05099 | 165.5 |
[M+H-H2O]+ | 266.08509 | 154.0 |
[M+HCOO]- | 328.08603 | 173.6 |
[M+CH3COO]- | 342.10168 | 194.8 |
[M+Na-2H]- | 304.06250 | 164.3 |
[M]+ | 283.08728 | 162.1 |
[M]- | 283.08838 | 162.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.