CID 87435

18053-44-6

Structural Information

Molecular Formula

C₁₄H₂₀ClN₃O₂

SMILES

CN(CC1=C(C=CC=C1Cl)N)CC(=O)N2CCOCC2

InChI

InChI=1S/C14H20ClN3O2/c1-17(9-11-12(15)3-2-4-13(11)16)10-14(19)18-5-7-20-8-6-18/h2-4H,5-10,16H2,1H3

InChIKey

XOVFORNMFWVHSY-UHFFFAOYSA-N

Compound name

2-[(2-amino-6-chlorophenyl)methyl-methylamino]-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 297.1244 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]+	298.131676	171.1
[M+Na]+	320.113618	175.7
[M-H]-	296.117124	176.9
[M+NH4]+	315.158223	184.0
[M+K]+	336.087558	173.3
[M+H-H2O]+	280.121660	162.6
[M+HCOO]-	342.122601	185.8
[M+CH3COO]-	356.138251	208.0
[M+Na-2H]-	318.099066	172.7
[M]+	297.12385142	170.2
[M]-	297.12494858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe