CID 13362229

Sr 41590

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃O₂

SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)N(CCO)CCO)Cl

InChI

InChI=1S/C14H16ClN3O2/c15-12-3-1-11(2-4-12)13-5-6-16-14(17-13)18(7-9-19)8-10-20/h1-6,19-20H,7-10H2

InChIKey

YSKAIGNAAYZAOK-UHFFFAOYSA-N

Compound name

2-[[4-(4-chlorophenyl)pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0931 Da
Monoisotopic Mass: 1.6
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]+	294.100376	164.7
[M+Na]+	316.082318	172.1
[M-H]-	292.085824	167.1
[M+NH4]+	311.126923	177.1
[M+K]+	332.056258	166.8
[M+H-H2O]+	276.090360	156.0
[M+HCOO]-	338.091301	180.7
[M+CH3COO]-	352.106951	200.7
[M+Na-2H]-	314.067766	169.9
[M]+	293.09255142	167.3
[M]-	293.09364858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.