CID 205004

Lg 256

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O₂

SMILES

CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H22ClN3O2/c1-22-8-10-23(11-9-22)13-15-12-17(6-7-18(15)24)21-19(25)14-2-4-16(20)5-3-14/h2-7,12,24H,8-11,13H2,1H3,(H,21,25)

InChIKey

YXSSCVWDQXKKJA-UHFFFAOYSA-N

Compound name

4-chloro-N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 359.14005 Da
Monoisotopic Mass: 2.7
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]+	360.147326	185.5
[M+Na]+	382.129268	191.1
[M-H]-	358.132774	190.4
[M+NH4]+	377.173873	195.0
[M+K]+	398.103208	184.3
[M+H-H2O]+	342.137310	175.4
[M+HCOO]-	404.138251	197.0
[M+CH3COO]-	418.153901	213.7
[M+Na-2H]-	380.114716	186.0
[M]+	359.13950142	183.2
[M]-	359.14059858	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe