CID 4078763

N-(4-chlorobenzylidene)-2-morpholinoethylamine

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O

SMILES

C1COCCN1CCN=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,11H,5-10H2

InChIKey

QXXMAICCQDCKQT-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 252.10294 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]+	253.110216	158.2
[M+Na]+	275.092158	163.8
[M-H]-	251.095664	164.0
[M+NH4]+	270.136763	173.4
[M+K]+	291.066098	160.4
[M+H-H2O]+	235.100200	149.8
[M+HCOO]-	297.101141	174.5
[M+CH3COO]-	311.116791	195.5
[M+Na-2H]-	273.077606	163.9
[M]+	252.10239142	157.9
[M]-	252.10348858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe