CID 512832

Mls000709143

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)C=CC3=O

InChI

InChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2

InChIKey

WDVCZWBFCRAQKN-UHFFFAOYSA-N

Compound name

1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 256.1212 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]+	257.12848	158.8
[M+Na]+	279.11042	165.3
[M-H]-	255.11392	165.4
[M+NH4]+	274.15502	174.1
[M+K]+	295.08436	161.0
[M+H-H2O]+	239.11846	149.4
[M+HCOO]-	301.11940	177.3
[M+CH3COO]-	315.13505	169.9
[M+Na-2H]-	277.09587	159.6
[M]+	256.12065	154.2
[M]-	256.12175	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe