CID 3057512

74050-96-7

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂O

SMILES

CN(C)CCC(C1=CC=C(C=C1)Cl)(C2=CC=CC=N2)O

InChI

InChI=1S/C16H19ClN2O/c1-19(2)12-10-16(20,15-5-3-4-11-18-15)13-6-8-14(17)9-7-13/h3-9,11,20H,10,12H2,1-2H3

InChIKey

KMXNKRXQXACHDF-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 290.1186 Da
Monoisotopic Mass: 2.5
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]+	291.125876	167.4
[M+Na]+	313.107818	174.1
[M-H]-	289.111324	172.3
[M+NH4]+	308.152423	182.0
[M+K]+	329.081758	169.1
[M+H-H2O]+	273.115860	159.5
[M+HCOO]-	335.116801	183.8
[M+CH3COO]-	349.132451	203.6
[M+Na-2H]-	311.093266	173.2
[M]+	290.11805142	169.9
[M]-	290.11914858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe