CID 222106

Nsc7421

Structural Information

Molecular Formula
C13H16N4O2S
SMILES
CC1=C(N=C(N=C1C)NS(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C13H16N4O2S/c1-8-9(2)15-13(16-10(8)3)17-20(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKey
OPYDAKQSRXYIRH-UHFFFAOYSA-N
Compound name
4-amino-N-(4,5,6-trimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.0994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10668 166.6
[M+Na]+ 315.08862 176.5
[M-H]- 291.09212 171.3
[M+NH4]+ 310.13322 179.6
[M+K]+ 331.06256 171.0
[M+H-H2O]+ 275.09666 158.3
[M+HCOO]- 337.09760 184.0
[M+CH3COO]- 351.11325 205.3
[M+Na-2H]- 313.07407 170.3
[M]+ 292.09885 168.4
[M]- 292.09995 168.4
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.