CID 10357099

4-amino-n-(4,6-dimethylpyrimidin-2-yl)-3-hydroxybenzenesulfonamide

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC(=C(C=C2)N)O)C
InChI
InChI=1S/C12H14N4O3S/c1-7-5-8(2)15-12(14-7)16-20(18,19)9-3-4-10(13)11(17)6-9/h3-6,17H,13H2,1-2H3,(H,14,15,16)
InChIKey
RXOGJTGFDIQHRO-UHFFFAOYSA-N
Compound name
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.4
[M+Na]+ 317.067888 174.9
[M-H]- 293.071394 168.8
[M+NH4]+ 312.112493 177.4
[M+K]+ 333.041828 169.4
[M+H-H2O]+ 277.075930 157.3
[M+HCOO]- 339.076871 181.7
[M+CH3COO]- 353.092521 202.3
[M+Na-2H]- 315.053336 169.3
[M]+ 294.07812142 166.4
[M]- 294.07921858 166.4
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

No patent data available for this compound.