CID 5326

Sulfameter

Structural Information

Molecular Formula
C11H12N4O3S
SMILES
COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKey
GPTONYMQFTZPKC-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

133
References

7490
Patents

280.06302 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.070296 159.8
[M+Na]+ 303.052238 168.6
[M-H]- 279.055744 164.1
[M+NH4]+ 298.096843 172.5
[M+K]+ 319.026178 164.0
[M+H-H2O]+ 263.060280 151.2
[M+HCOO]- 325.061221 178.1
[M+CH3COO]- 339.076871 199.0
[M+Na-2H]- 301.037686 166.1
[M]+ 280.06247142 161.5
[M]- 280.06356858 161.5
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