CID 17134
Sulfadoxine
Structural Information
- Molecular Formula
- C12H14N4O4S
- SMILES
- COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N
- InChI
- InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
- InChIKey
- PJSFRIWCGOHTNF-UHFFFAOYSA-N
- Compound name
- 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.08086 | 167.5 |
[M+Na]+ | 333.06280 | 176.3 |
[M-H]- | 309.06630 | 171.9 |
[M+NH4]+ | 328.10740 | 179.1 |
[M+K]+ | 349.03674 | 172.2 |
[M+H-H2O]+ | 293.07084 | 158.6 |
[M+HCOO]- | 355.07178 | 185.6 |
[M+CH3COO]- | 369.08743 | 205.5 |
[M+Na-2H]- | 331.04825 | 172.8 |
[M]+ | 310.07303 | 171.2 |
[M]- | 310.07413 | 171.2 |