CID 212702

Brn 1158915

Structural Information

Molecular Formula

C₂₀H₁₉N₃O₃

SMILES

C1COCCN1C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3/c24-19-18(15-21-11-13-26-14-12-21)20(25)23(17-9-5-2-6-10-17)22(19)16-7-3-1-4-8-16/h1-10,15H,11-14H2

InChIKey

RLOXCEFPQOFJDM-UHFFFAOYSA-N

Compound name

4-(morpholin-4-ylmethylidene)-1,2-diphenylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.14264 Da
Monoisotopic Mass: 2.5
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]+	350.149916	184.2
[M+Na]+	372.131858	189.9
[M-H]-	348.135364	192.8
[M+NH4]+	367.176463	192.4
[M+K]+	388.105798	184.8
[M+H-H2O]+	332.139900	172.3
[M+HCOO]-	394.140841	198.7
[M+CH3COO]-	408.156491	192.9
[M+Na-2H]-	370.117306	183.0
[M]+	349.14209142	179.2
[M]-	349.14318858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.