CID 3057358

Morpholine, 4,4'-(o-chlorobenzylidene)di-

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O₂

SMILES

C1COCCN1C(C2=CC=CC=C2Cl)N3CCOCC3

InChI

InChI=1S/C15H21ClN2O2/c16-14-4-2-1-3-13(14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2

InChIKey

QHLHJDHYOIXLEN-UHFFFAOYSA-N

Compound name

4-[(2-chlorophenyl)-morpholin-4-ylmethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.12915 Da
Monoisotopic Mass: 1.8
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]+	297.136426	170.1
[M+Na]+	319.118368	172.7
[M-H]-	295.121874	175.8
[M+NH4]+	314.162973	179.3
[M+K]+	335.092308	170.7
[M+H-H2O]+	279.126410	159.6
[M+HCOO]-	341.127351	176.8
[M+CH3COO]-	355.143001	178.4
[M+Na-2H]-	317.103816	172.4
[M]+	296.12860142	165.0
[M]-	296.12969858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe