CID 139597061

Dtxsid301028690

Structural Information

Molecular Formula

C₁₇H₁₉NO₆

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)OCCNC(=O)OCCO

InChI

InChI=1S/C17H19NO6/c19-10-12-23-17(21)18-9-11-22-14-5-7-16(8-6-14)24-15-3-1-13(20)2-4-15/h1-8,19-20H,9-12H2,(H,18,21)

InChIKey

SGFADPVAFNZBOF-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 333.12125 Da
Monoisotopic Mass: 2.9
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]+	334.128526	174.5
[M+Na]+	356.110468	179.1
[M-H]-	332.113974	178.2
[M+NH4]+	351.155073	186.0
[M+K]+	372.084408	176.7
[M+H-H2O]+	316.118510	165.8
[M+HCOO]-	378.119451	196.2
[M+CH3COO]-	392.135101	204.9
[M+Na-2H]-	354.095916	178.1
[M]+	333.12070142	178.0
[M]-	333.12179858	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.