CID 2747286

Maybridge1_008738

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₅S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20N2O5S/c1-13-3-9-16(10-4-13)25(21,22)19-17(20)18-11-12-24-15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H2,18,19,20)

InChIKey

PUHIRNHJEOGYLS-UHFFFAOYSA-N

Compound name

1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 364.10928 Da
Monoisotopic Mass: 2.4
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]+	365.116556	182.7
[M+Na]+	387.098498	188.1
[M-H]-	363.102004	189.1
[M+NH4]+	382.143103	194.6
[M+K]+	403.072438	184.7
[M+H-H2O]+	347.106540	173.9
[M+HCOO]-	409.107481	201.7
[M+CH3COO]-	423.123131	215.2
[M+Na-2H]-	385.083946	186.4
[M]+	364.10873142	187.8
[M]-	364.10982858	187.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.