CID 473359

N4-acetylsulfadimethoxine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

352.08414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09142 177.8
[M+Na]+ 375.07336 185.3
[M-H]- 351.07686 182.5
[M+NH4]+ 370.11796 187.7
[M+K]+ 391.04730 182.0
[M+H-H2O]+ 335.08140 168.5
[M+HCOO]- 397.08234 195.2
[M+CH3COO]- 411.09799 213.7
[M+Na-2H]- 373.05881 182.6
[M]+ 352.08359 183.2
[M]- 352.08469 183.2
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