CID 170454310

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

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=C(C(=C(C=C2)N)O)O)C
InChI
InChI=1S/C12H14N4O4S/c1-6-5-7(2)15-12(14-6)16-21(19,20)9-4-3-8(13)10(17)11(9)18/h3-5,17-18H,13H2,1-2H3,(H,14,15,16)
InChIKey
CFALPVSHLNESJU-UHFFFAOYSA-N
Compound name
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.080856 168.8
[M+Na]+ 333.062798 178.3
[M-H]- 309.066304 171.2
[M+NH4]+ 328.107403 179.6
[M+K]+ 349.036738 172.8
[M+H-H2O]+ 293.070840 161.0
[M+HCOO]- 355.071781 183.8
[M+CH3COO]- 369.087431 203.9
[M+Na-2H]- 331.048246 171.9
[M]+ 310.07303142 169.8
[M]- 310.07412858 169.8
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.