CID 170456056

4-amino-n-(1-hydroxy-2,6-dimethoxypyrimidin-4-ylidene)benzenesulfonamide

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₅S

SMILES

COC1=CC(=NS(=O)(=O)C2=CC=C(C=C2)N)N=C(N1O)OC

InChI

InChI=1S/C12H14N4O5S/c1-20-11-7-10(14-12(21-2)16(11)17)15-22(18,19)9-5-3-8(13)4-6-9/h3-7,17H,13H2,1-2H3

InChIKey

JXQDZALTBHKJOB-UHFFFAOYSA-N

Compound name

4-amino-N-(1-hydroxy-2,6-dimethoxypyrimidin-4-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.06848 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]+	327.075756	170.9
[M+Na]+	349.057698	180.4
[M-H]-	325.061204	175.6
[M+NH4]+	344.102303	182.0
[M+K]+	365.031638	176.5
[M+H-H2O]+	309.065740	162.0
[M+HCOO]-	371.066681	189.2
[M+CH3COO]-	385.082331	207.8
[M+Na-2H]-	347.043146	175.6
[M]+	326.06793142	175.6
[M]-	326.06902858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.