CID 212121

Brn 0818799

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

C1CN(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)CCO

InChI

InChI=1S/C18H20N2O2/c21-14-13-20-12-11-19-17(22)18(20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22)

InChIKey

YWMZRILJZUJQSV-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-3,3-diphenylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 296.15247 Da
Monoisotopic Mass: 1.9
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]+	297.159746	172.0
[M+Na]+	319.141688	177.2
[M-H]-	295.145194	175.5
[M+NH4]+	314.186293	184.2
[M+K]+	335.115628	171.0
[M+H-H2O]+	279.149730	161.9
[M+HCOO]-	341.150671	186.9
[M+CH3COO]-	355.166321	180.7
[M+Na-2H]-	317.127136	176.0
[M]+	296.15192142	165.9
[M]-	296.15301858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe