CID 213503

Da-237

Structural Information

Molecular Formula

C₁₉H₁₈N₂O₂

SMILES

CCC(=C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O2/c1-3-14(2)17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3

InChIKey

DNDYNVXYUBUZFM-UHFFFAOYSA-N

Compound name

4-butan-2-ylidene-1,2-diphenylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 306.13684 Da
Monoisotopic Mass: 4.4
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]+	307.14412	172.8
[M+Na]+	329.12606	180.6
[M-H]-	305.12956	180.1
[M+NH4]+	324.17066	186.5
[M+K]+	345.10000	174.9
[M+H-H2O]+	289.13410	163.3
[M+HCOO]-	351.13504	192.1
[M+CH3COO]-	365.15069	205.3
[M+Na-2H]-	327.11151	171.8
[M]+	306.13629	171.5
[M]-	306.13739	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe