CID 71684

Pipratecol

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₄

SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3

InChIKey

QESTYTNSJJTQCI-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 165
Patents: 344.1736 Da
Monoisotopic Mass: 2.0
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]+	345.180876	182.7
[M+Na]+	367.162818	186.8
[M-H]-	343.166324	185.1
[M+NH4]+	362.207423	190.6
[M+K]+	383.136758	181.9
[M+H-H2O]+	327.170860	172.6
[M+HCOO]-	389.171801	194.8
[M+CH3COO]-	403.187451	206.3
[M+Na-2H]-	365.148266	182.4
[M]+	344.17305142	178.7
[M]-	344.17414858	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe