CID 20983491

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

Structural Information

Molecular Formula
C12H14N4O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC(=C2)N)C
InChI
InChI=1S/C12H14N4O2S/c1-8-6-9(2)15-12(14-8)16-19(17,18)11-5-3-4-10(13)7-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
GWEZRFLENUUPEQ-UHFFFAOYSA-N
Compound name
3-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08374 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.091016 161.8
[M+Na]+ 301.072958 171.3
[M-H]- 277.076464 166.3
[M+NH4]+ 296.117563 175.1
[M+K]+ 317.046898 165.9
[M+H-H2O]+ 261.081000 153.5
[M+HCOO]- 323.081941 179.6
[M+CH3COO]- 337.097591 201.0
[M+Na-2H]- 299.058406 166.7
[M]+ 278.08319142 162.9
[M]- 278.08428858 162.9
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.