CID 218196

40319-53-7

Structural Information

Molecular Formula

C₁₈H₁₉N

SMILES

C1CC(C=CC1N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,17H,12,14,19H2

InChIKey

JMKYZMHKJLOAIF-UHFFFAOYSA-N

Compound name

4,4-diphenylcyclohex-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 249.15175 Da
Monoisotopic Mass: 3.8
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]+	250.159026	159.4
[M+Na]+	272.140968	164.8
[M-H]-	248.144474	168.1
[M+NH4]+	267.185573	177.3
[M+K]+	288.114908	159.4
[M+H-H2O]+	232.149010	150.8
[M+HCOO]-	294.149951	181.4
[M+CH3COO]-	308.165601	170.8
[M+Na-2H]-	270.126416	165.3
[M]+	249.15120142	153.4
[M]-	249.15229858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe