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]+ 293.106676 166.6
[M+Na]+ 315.088618 176.5
[M-H]- 291.092124 171.3
[M+NH4]+ 310.133223 179.6
[M+K]+ 331.062558 171.0
[M+H-H2O]+ 275.096660 158.3
[M+HCOO]- 337.097601 184.0
[M+CH3COO]- 351.113251 205.3
[M+Na-2H]- 313.074066 170.3
[M]+ 292.09885142 168.4
[M]- 292.09994858 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.