CID 126278

97221-06-2

Structural Information

Molecular Formula

C₁₃H₁₅ClN₂O₃

SMILES

C1COCC(=O)N1CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-5-6-16-7-8-19-9-12(16)17/h1-4H,5-9H2,(H,15,18)

InChIKey

MSTSJTNXRXBTIP-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5
Patents: 282.07712 Da
Monoisotopic Mass: 1.0
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]+	283.084396	162.9
[M+Na]+	305.066338	168.9
[M-H]-	281.069844	168.1
[M+NH4]+	300.110943	176.3
[M+K]+	321.040278	165.8
[M+H-H2O]+	265.074380	155.1
[M+HCOO]-	327.075321	177.5
[M+CH3COO]-	341.090971	198.5
[M+Na-2H]-	303.051786	166.6
[M]+	282.07657142	162.9
[M]-	282.07766858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe