CID 160773

N4-acetyl sulfadoxine

Structural Information

Molecular Formula
C14H16N4O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OC)OC
InChI
InChI=1S/C14H16N4O5S/c1-9(19)17-10-4-6-11(7-5-10)24(20,21)18-13-12(22-2)14(23-3)16-8-15-13/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKey
PBSUUNCQTRDFCM-UHFFFAOYSA-N
Compound name
N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

352.08414 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09142 177.6
[M+Na]+ 375.07336 187.8
[M+NH4]+ 370.11796 181.6
[M+K]+ 391.04730 182.6
[M-H]- 351.07686 178.7
[M+Na-2H]- 373.05881 183.5
[M]+ 352.08359 179.4
[M]- 352.08469 179.4
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