CID 13753519

57321-32-1

Structural Information

Molecular Formula

C₁₈H₂₂N₂O

SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=CC=CC=C3CO

InChI

InChI=1S/C18H22N2O/c1-19-11-12-20(17-10-6-5-9-16(17)14-21)18(13-19)15-7-3-2-4-8-15/h2-10,18,21H,11-14H2,1H3

InChIKey

ABLJNOQEJRHXCJ-UHFFFAOYSA-N

Compound name

[2-(4-methyl-2-phenylpiperazin-1-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.17322 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]+	283.18050	169.2
[M+Na]+	305.16244	174.6
[M-H]-	281.16594	174.0
[M+NH4]+	300.20704	181.1
[M+K]+	321.13638	168.8
[M+H-H2O]+	265.17048	158.8
[M+HCOO]-	327.17142	185.2
[M+CH3COO]-	341.18707	178.6
[M+Na-2H]-	303.14789	171.9
[M]+	282.17267	164.3
[M]-	282.17377	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe