CID 10685418

Lansamide 3

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

CN1C(C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3

InChIKey

FTFQYXRXXIHIHC-UHFFFAOYSA-N

Compound name

3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.1365 Da
Monoisotopic Mass: 1.9
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]+	298.143776	170.0
[M+Na]+	320.125718	176.9
[M-H]-	296.129224	175.9
[M+NH4]+	315.170323	182.4
[M+K]+	336.099658	171.5
[M+H-H2O]+	280.133760	161.1
[M+HCOO]-	342.134701	186.4
[M+CH3COO]-	356.150351	200.2
[M+Na-2H]-	318.111166	170.9
[M]+	297.13595142	165.9
[M]-	297.13704858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe