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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.