CID 115329478

Ns00133120

Structural Information

Molecular Formula
C12H13ClN4O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC(=C(C=C2)N)Cl)C
InChI
InChI=1S/C12H13ClN4O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)9-3-4-11(14)10(13)6-9/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKey
KAPTWVWNQDOHCR-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.04477 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.052046 168.3
[M+Na]+ 335.033988 179.0
[M-H]- 311.037494 173.0
[M+NH4]+ 330.078593 181.3
[M+K]+ 351.007928 172.4
[M+H-H2O]+ 295.042030 160.8
[M+HCOO]- 357.042971 181.3
[M+CH3COO]- 371.058621 205.9
[M+Na-2H]- 333.019436 171.9
[M]+ 312.04422142 171.7
[M]- 312.04531858 171.7
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.