CID 1224047

Piperazine, 1-(3,5-dimethoxy-4-hydroxybenzoyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₄

SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C14H20N2O4/c1-15-4-6-16(7-5-15)14(18)10-8-11(19-2)13(17)12(9-10)20-3/h8-9,17H,4-7H2,1-3H3

InChIKey

XOAGJRLSUVCBMO-UHFFFAOYSA-N

Compound name

(4-hydroxy-3,5-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.1423 Da
Monoisotopic Mass: 0.8
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]+	281.149576	164.9
[M+Na]+	303.131518	171.4
[M-H]-	279.135024	167.4
[M+NH4]+	298.176123	177.6
[M+K]+	319.105458	169.2
[M+H-H2O]+	263.139560	156.3
[M+HCOO]-	325.140501	180.7
[M+CH3COO]-	339.156151	198.4
[M+Na-2H]-	301.116966	165.6
[M]+	280.14175142	164.8
[M]-	280.14284858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe