CID 129829018

Dtxsid701028692

Structural Information

Molecular Formula

C₁₇H₁₉NO₅

SMILES

CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C17H19NO5/c1-2-21-17(20)18-11-12-22-14-7-9-16(10-8-14)23-15-5-3-13(19)4-6-15/h3-10,19H,2,11-12H2,1H3,(H,18,20)

InChIKey

ZRDDDACGJBIKQG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 317.1263 Da
Monoisotopic Mass: 3.9
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]+	318.133576	172.3
[M+Na]+	340.115518	177.6
[M-H]-	316.119024	177.4
[M+NH4]+	335.160123	185.3
[M+K]+	356.089458	175.2
[M+H-H2O]+	300.123560	163.6
[M+HCOO]-	362.124501	195.3
[M+CH3COO]-	376.140151	205.0
[M+Na-2H]-	338.100966	176.1
[M]+	317.12575142	176.2
[M]-	317.12684858	176.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.