CID 201492

Da-231

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

CCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3

InChIKey

FFVLWIPQVZKVDU-UHFFFAOYSA-N

Compound name

1,2-diphenyl-4-propylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 294.13684 Da
Monoisotopic Mass: 2.6
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]+	295.144116	169.3
[M+Na]+	317.126058	177.5
[M-H]-	293.129564	176.6
[M+NH4]+	312.170663	183.6
[M+K]+	333.099998	172.1
[M+H-H2O]+	277.134100	159.6
[M+HCOO]-	339.135041	189.7
[M+CH3COO]-	353.150691	202.8
[M+Na-2H]-	315.111506	169.9
[M]+	294.13629142	169.0
[M]-	294.13738858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe