CID 5323

Sulfadimethoxine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₄S

SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC

InChI

InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey

ZZORFUFYDOWNEF-UHFFFAOYSA-N

Compound name

4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 977
References: 11181
Patents: 310.07358 Da
Monoisotopic Mass: 1.6
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]+	311.080856	167.5
[M+Na]+	333.062798	176.3
[M-H]-	309.066304	171.9
[M+NH4]+	328.107403	179.1
[M+K]+	349.036738	172.2
[M+H-H2O]+	293.070840	158.6
[M+HCOO]-	355.071781	185.6
[M+CH3COO]-	369.087431	205.5
[M+Na-2H]-	331.048246	172.8
[M]+	310.07303142	171.2
[M]-	310.07412858	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe