CID 153513548

2446932-40-5

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O₃

SMILES

C1CC(=O)NC(=O)C1NC2=CC(=CC=C2)NC(=O)CCl

InChI

InChI=1S/C13H14ClN3O3/c14-7-12(19)16-9-3-1-2-8(6-9)15-10-4-5-11(18)17-13(10)20/h1-3,6,10,15H,4-5,7H2,(H,16,19)(H,17,18,20)

InChIKey

RAHLJETULYNAOL-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 295.07236 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]+	296.079636	164.6
[M+Na]+	318.061578	170.3
[M-H]-	294.065084	168.1
[M+NH4]+	313.106183	177.8
[M+K]+	334.035518	165.0
[M+H-H2O]+	278.069620	157.2
[M+HCOO]-	340.070561	179.9
[M+CH3COO]-	354.086211	201.8
[M+Na-2H]-	316.047026	166.9
[M]+	295.07181142	161.2
[M]-	295.07290858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe