CID 10221435

61337-89-1

Structural Information

Molecular Formula

C₁₇H₂₁N₃O

SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO

InChI

InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3

InChIKey

PYZPABZGIRHQTA-UHFFFAOYSA-N

Compound name

[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 283.16846 Da
Monoisotopic Mass: 1.8
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]+	284.17574	169.9
[M+Na]+	306.15768	175.7
[M-H]-	282.16118	173.4
[M+NH4]+	301.20228	180.4
[M+K]+	322.13162	169.8
[M+H-H2O]+	266.16572	158.8
[M+HCOO]-	328.16666	184.8
[M+CH3COO]-	342.18231	178.9
[M+Na-2H]-	304.14313	173.1
[M]+	283.16791	165.2
[M]-	283.16901	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe