CID 5323

Sulfadimethoxine

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
ZZORFUFYDOWNEF-UHFFFAOYSA-N
Compound name
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

975
References

10995
Patents

310.07358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 167.3
[M+Na]+ 333.06280 178.5
[M+NH4]+ 328.10740 172.5
[M+K]+ 349.03674 172.6
[M-H]- 309.06630 169.3
[M+Na-2H]- 331.04825 174.0
[M]+ 310.07303 169.6
[M]- 310.07413 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe