CID 210938

21937-21-3

Structural Information

Molecular Formula

C₂₀H₂₄ClN₃O₂

SMILES

CC1CN(CC(O1)C)C(=O)CCN(C2=CC=NC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-15-13-23(14-16(2)26-15)20(25)8-11-24(18-6-9-22-10-7-18)19-5-3-4-17(21)12-19/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3

InChIKey

PLEZHVJTHJGWAA-UHFFFAOYSA-N

Compound name

3-(3-chloro-N-pyridin-4-ylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.1557 Da
Monoisotopic Mass: 3.1
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]+	374.162976	191.2
[M+Na]+	396.144918	196.1
[M-H]-	372.148424	198.9
[M+NH4]+	391.189523	199.7
[M+K]+	412.118858	192.2
[M+H-H2O]+	356.152960	179.9
[M+HCOO]-	418.153901	203.3
[M+CH3COO]-	432.169551	221.1
[M+Na-2H]-	394.130366	191.9
[M]+	373.15515142	192.4
[M]-	373.15624858	192.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.