CID 199316

Br-sa iii

Structural Information

Molecular Formula
C12H13BrN4O2S
SMILES
CC1=C(C(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N)Br
InChI
InChI=1S/C12H13BrN4O2S/c1-7-11(13)12(16-8(2)15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKey
UEQDYAVJNNDRMZ-UHFFFAOYSA-N
Compound name
4-amino-N-(5-bromo-2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.99426 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00154 160.3
[M+Na]+ 378.98348 173.0
[M-H]- 354.98698 167.4
[M+NH4]+ 374.02808 174.6
[M+K]+ 394.95742 159.0
[M+H-H2O]+ 338.99152 158.0
[M+HCOO]- 400.99246 175.8
[M+CH3COO]- 415.00811 210.7
[M+Na-2H]- 376.96893 166.4
[M]+ 355.99371 180.2
[M]- 355.99481 180.2
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

patents stripe