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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 172.3
[M+Na]+ 340.11552 177.6
[M-H]- 316.11902 177.4
[M+NH4]+ 335.16012 185.3
[M+K]+ 356.08946 175.2
[M+H-H2O]+ 300.12356 163.6
[M+HCOO]- 362.12450 195.3
[M+CH3COO]- 376.14015 205.0
[M+Na-2H]- 338.10097 176.1
[M]+ 317.12575 176.2
[M]- 317.12685 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.