CID 4131361

Schembl29158532

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₃S

SMILES

COC1=CN=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H12N4O3S/c1-18-10-6-13-7-14-11(10)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)

InChIKey

JRTJPPIMKKSPDW-UHFFFAOYSA-N

Compound name

4-amino-N-(5-methoxypyrimidin-4-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.06302 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe