CID 884090

4-chloro-2-((4-methyl-1-piperazinyl)carbonyl)phenyl methyl ether hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

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

InChI

InChI=1S/C13H17ClN2O2/c1-15-5-7-16(8-6-15)13(17)11-9-10(14)3-4-12(11)18-2/h3-4,9H,5-8H2,1-2H3

InChIKey

UBGPUCLLFAJXIY-UHFFFAOYSA-N

Compound name

(5-chloro-2-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 268.09787 Da
Monoisotopic Mass: 0.9
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]+	269.105146	159.7
[M+Na]+	291.087088	167.1
[M-H]-	267.090594	163.1
[M+NH4]+	286.131693	174.3
[M+K]+	307.061028	163.1
[M+H-H2O]+	251.095130	151.5
[M+HCOO]-	313.096071	172.4
[M+CH3COO]-	327.111721	196.0
[M+Na-2H]-	289.072536	161.5
[M]+	268.09732142	159.8
[M]-	268.09841858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe