CID 84972

15532-98-6

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₄

SMILES

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

InChI

InChI=1S/C19H22N2O4/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/h2-7,12,22-23H,8-11,13H2,1H3

InChIKey

MPHPDMUOEKCXGX-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 342.15796 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]+	343.165236	181.6
[M+Na]+	365.147178	186.4
[M-H]-	341.150684	185.4
[M+NH4]+	360.191783	190.1
[M+K]+	381.121118	181.7
[M+H-H2O]+	325.155220	171.2
[M+HCOO]-	387.156161	195.4
[M+CH3COO]-	401.171811	207.8
[M+Na-2H]-	363.132626	181.7
[M]+	342.15741142	178.6
[M]-	342.15850858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe