CID 197985

Linadryl h

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

C1CN(CCOC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO2/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-14-21-12-7-15-22-16-13-21/h1-6,8-11,20H,7,12-17H2

InChIKey

TZJTVQRBDZCQFU-UHFFFAOYSA-N

Compound name

4-(2-benzhydryloxyethyl)-1,4-oxazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 311.18854 Da
Monoisotopic Mass: 3.3
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]+	312.195816	173.8
[M+Na]+	334.177758	174.6
[M-H]-	310.181264	181.5
[M+NH4]+	329.222363	183.6
[M+K]+	350.151698	176.1
[M+H-H2O]+	294.185800	164.7
[M+HCOO]-	356.186741	189.8
[M+CH3COO]-	370.202391	182.3
[M+Na-2H]-	332.163206	177.1
[M]+	311.18799142	168.2
[M]-	311.18908858	168.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.