CID 201535

Brn 0567805

Structural Information

Molecular Formula
C12H11F3N4O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H11F3N4O2S/c1-7-6-10(12(13,14)15)18-11(17-7)19-22(20,21)9-4-2-8(16)3-5-9/h2-6H,16H2,1H3,(H,17,18,19)
InChIKey
MORBHZDMGNIESM-UHFFFAOYSA-N
Compound name
4-amino-N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05548 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06276 168.6
[M+Na]+ 355.04470 176.6
[M+NH4]+ 350.08930 171.9
[M+K]+ 371.01864 171.6
[M-H]- 331.04820 166.0
[M+Na-2H]- 353.03015 173.3
[M]+ 332.05493 169.0
[M]- 332.05603 169.0
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.