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

4850
Patents

294.07867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.085946 164.6
[M+Na]+ 317.067888 174.0
[M-H]- 293.071394 169.1
[M+NH4]+ 312.112493 177.0
[M+K]+ 333.041828 168.7
[M+H-H2O]+ 277.075930 156.1
[M+HCOO]- 339.076871 182.7
[M+CH3COO]- 353.092521 202.5
[M+Na-2H]- 315.053336 169.6
[M]+ 294.07812142 166.3
[M]- 294.07921858 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

literature stripe

Patent stripe

patents stripe