CID 72014

Epanolol

Structural Information

Molecular Formula
C20H23N3O4
SMILES
C1=CC=C(C(=C1)C#N)OCC(CNCCNC(=O)CC2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)
InChIKey
YARKMNAWFIMDKV-UHFFFAOYSA-N
Compound name
N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-(4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

59
References

5294
Patents

369.16885 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 192.0
[M+Na]+ 392.15807 200.4
[M+NH4]+ 387.20267 193.3
[M+K]+ 408.13201 191.6
[M-H]- 368.16157 186.9
[M+Na-2H]- 390.14352 193.8
[M]+ 369.16830 190.5
[M]- 369.16940 190.5
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

patents stripe