CID 67002

Sulfaproxyline

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₄S

SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)

InChIKey

FBFBRAFXKGRRHI-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1477
Patents: 334.09872 Da
Monoisotopic Mass: 2.6
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]+	335.10600	175.6
[M+Na]+	357.08794	181.3
[M-H]-	333.09144	181.7
[M+NH4]+	352.13254	188.4
[M+K]+	373.06188	177.7
[M+H-H2O]+	317.09598	167.5
[M+HCOO]-	379.09692	193.0
[M+CH3COO]-	393.11257	211.0
[M+Na-2H]-	355.07339	177.4
[M]+	334.09817	177.5
[M]-	334.09927	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe