CID 3048531

2-propen-1-amine, 3,3-bis(p-chlorophenyl)-n-methyl-, oxalate

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂N

SMILES

CNCC=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15Cl2N/c1-19-11-10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-10,19H,11H2,1H3

InChIKey

DHHWCWNCVKWOAG-UHFFFAOYSA-N

Compound name

3,3-bis(4-chlorophenyl)-N-methylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.05817 Da
Monoisotopic Mass: 5.1
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]+	292.065446	165.6
[M+Na]+	314.047388	173.8
[M-H]-	290.050894	171.2
[M+NH4]+	309.091993	182.2
[M+K]+	330.021328	165.9
[M+H-H2O]+	274.055430	159.5
[M+HCOO]-	336.056371	179.8
[M+CH3COO]-	350.072021	202.6
[M+Na-2H]-	312.032836	168.9
[M]+	291.05762142	167.7
[M]-	291.05871858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.