CID 8310

Sulfabrom

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

415
Patents

355.99426 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe