CID 5322

Sulfacytine

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)
InChIKey
SIBQAECNSSQUOD-UHFFFAOYSA-N
Compound name
4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

8
References

4814
Patents

294.07867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08595 164.6
[M+Na]+ 317.06789 174.0
[M-H]- 293.07139 169.1
[M+NH4]+ 312.11249 177.0
[M+K]+ 333.04183 168.7
[M+H-H2O]+ 277.07593 156.1
[M+HCOO]- 339.07687 182.7
[M+CH3COO]- 353.09252 202.5
[M+Na-2H]- 315.05334 169.6
[M]+ 294.07812 166.3
[M]- 294.07922 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.