CID 9949740

191228-04-3

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₃

SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCC(=O)NO

InChI

InChI=1S/C20H22N2O3/c21-15-16-6-8-17(9-7-16)18-10-12-19(13-11-18)25-14-4-2-1-3-5-20(23)22-24/h6-13,24H,1-5,14H2,(H,22,23)

InChIKey

DWIYBCKFYUQVLU-UHFFFAOYSA-N

Compound name

7-[4-(4-cyanophenyl)phenoxy]-N-hydroxyheptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 392
Patents: 338.16306 Da
Monoisotopic Mass: 3.6
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]+	339.170336	184.4
[M+Na]+	361.152278	191.2
[M-H]-	337.155784	187.7
[M+NH4]+	356.196883	195.2
[M+K]+	377.126218	185.2
[M+H-H2O]+	321.160320	169.4
[M+HCOO]-	383.161261	202.4
[M+CH3COO]-	397.176911	220.6
[M+Na-2H]-	359.137726	185.8
[M]+	338.16251142	180.9
[M]-	338.16360858	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe