CID 963431

4-morpholineacetamide, n-(2-chlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O₂

SMILES

C1COCCN1CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)

InChIKey

ZXHIGLFJEQUJIJ-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 254.0822 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]+	255.089476	156.6
[M+Na]+	277.071418	161.9
[M-H]-	253.074924	161.5
[M+NH4]+	272.116023	170.9
[M+K]+	293.045358	159.0
[M+H-H2O]+	237.079460	148.8
[M+HCOO]-	299.080401	171.1
[M+CH3COO]-	313.096051	192.9
[M+Na-2H]-	275.056866	161.4
[M]+	254.08165142	155.0
[M]-	254.08274858	155.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.