CID 85584195

Lansimide 3

Structural Information

Molecular Formula

C₁₉H₂₁NO₃

SMILES

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

InChI

InChI=1S/C19H21NO3/c1-20-16(18(23-2)14-11-7-4-8-12-14)15(17(21)19(20)22)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3

InChIKey

MNNOPIIJDXUZST-UHFFFAOYSA-N

Compound name

3-hydroxy-5-[methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.15213 Da
Monoisotopic Mass: 2.1
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]+	312.159406	173.4
[M+Na]+	334.141348	179.9
[M-H]-	310.144854	180.7
[M+NH4]+	329.185953	187.6
[M+K]+	350.115288	175.5
[M+H-H2O]+	294.149390	164.9
[M+HCOO]-	356.150331	192.3
[M+CH3COO]-	370.165981	204.4
[M+Na-2H]-	332.126796	172.2
[M]+	311.15158142	172.7
[M]-	311.15267858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe