CID 3075723

1-(3-(((4-chlorophenyl)methyl)amino)-2-hydroxypropyl)-2-pyrrolidinone monohydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

C1CC(=O)N(C1)CC(CNCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H19ClN2O2/c15-12-5-3-11(4-6-12)8-16-9-13(18)10-17-7-1-2-14(17)19/h3-6,13,16,18H,1-2,7-10H2

InChIKey

PXTWJOJJTKNJBO-UHFFFAOYSA-N

Compound name

1-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1135 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]+	283.120776	165.5
[M+Na]+	305.102718	171.1
[M-H]-	281.106224	168.8
[M+NH4]+	300.147323	181.4
[M+K]+	321.076658	165.8
[M+H-H2O]+	265.110760	158.3
[M+HCOO]-	327.111701	181.0
[M+CH3COO]-	341.127351	197.7
[M+Na-2H]-	303.088166	165.9
[M]+	282.11295142	164.8
[M]-	282.11404858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.