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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12853 174.5
[M+Na]+ 356.11047 179.1
[M-H]- 332.11397 178.2
[M+NH4]+ 351.15507 186.0
[M+K]+ 372.08441 176.7
[M+H-H2O]+ 316.11851 165.8
[M+HCOO]- 378.11945 196.2
[M+CH3COO]- 392.13510 204.9
[M+Na-2H]- 354.09592 178.1
[M]+ 333.12070 178.0
[M]- 333.12180 178.0
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.