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
3
Annotation Hits

0
References

0
Patents

333.12125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12853 177.3
[M+Na]+ 356.11047 187.7
[M+NH4]+ 351.15507 182.3
[M+K]+ 372.08441 182.6
[M-H]- 332.11397 179.1
[M+Na-2H]- 354.09592 182.9
[M]+ 333.12070 178.9
[M]- 333.12180 178.9
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.