CID 117951478

1675203-84-5

Structural Information

Molecular Formula

C₂₅H₂₉N₃O₃

SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC

InChI

InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)

InChIKey

JEDPSOYOYVELLZ-UHFFFAOYSA-N

Compound name

N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 59
References: 202
Patents: 419.2209 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]+	420.228176	204.7
[M+Na]+	442.210118	209.1
[M-H]-	418.213624	212.5
[M+NH4]+	437.254723	212.5
[M+K]+	458.184058	204.0
[M+H-H2O]+	402.218160	192.8
[M+HCOO]-	464.219101	226.9
[M+CH3COO]-	478.234751	233.7
[M+Na-2H]-	440.195566	206.4
[M]+	419.22035142	208.2
[M]-	419.22144858	208.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.