CID 118080
33456-68-7
Structural Information
- Molecular Formula
- C20H22N2O5S
- SMILES
- CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C
- InChI
- InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
- InChIKey
- YJHGEYXLMLMFCF-UHFFFAOYSA-N
- Compound name
- 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.13222 | 192.5 |
[M+Na]+ | 425.11416 | 204.4 |
[M+NH4]+ | 420.15876 | 199.2 |
[M+K]+ | 441.08810 | 195.2 |
[M-H]- | 401.11766 | 194.6 |
[M+Na-2H]- | 423.09961 | 198.6 |
[M]+ | 402.12439 | 195.3 |
[M]- | 402.12549 | 195.3 |