CID 56600878

Nocazine c

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₃

SMILES

CN1/C(=C\C2=CC=C(C=C2)OC)/C(=O)N[C@H](C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13-/t17-/m0/s1

InChIKey

LNJXHMVOPQVJDF-XIDKLXSXSA-N

Compound name

(3S,6Z)-3-benzyl-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 336.1474 Da
Monoisotopic Mass: 3.0
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]+	337.154676	181.8
[M+Na]+	359.136618	188.8
[M-H]-	335.140124	187.2
[M+NH4]+	354.181223	191.7
[M+K]+	375.110558	182.2
[M+H-H2O]+	319.144660	171.2
[M+HCOO]-	381.145601	197.9
[M+CH3COO]-	395.161251	209.1
[M+Na-2H]-	357.122066	182.0
[M]+	336.14685142	179.1
[M]-	336.14794858	179.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.