CID 227298

Nsc18780

Structural Information

Molecular Formula
C11H11BrN4O2S
SMILES
CC1=NC(=NC=C1Br)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H11BrN4O2S/c1-7-10(12)6-14-11(15-7)16-19(17,18)9-4-2-8(13)3-5-9/h2-6H,13H2,1H3,(H,14,15,16)
InChIKey
BCYCBJGNXXJOSL-UHFFFAOYSA-N
Compound name
4-amino-N-(5-bromo-4-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.9786 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98588 155.6
[M+Na]+ 364.96782 168.0
[M-H]- 340.97132 162.5
[M+NH4]+ 360.01242 170.2
[M+K]+ 380.94176 154.2
[M+H-H2O]+ 324.97586 153.4
[M+HCOO]- 386.97680 171.6
[M+CH3COO]- 400.99245 206.8
[M+Na-2H]- 362.95327 162.9
[M]+ 341.97805 174.9
[M]- 341.97915 174.9
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.