CID 3076807

3-phenyl-1-(3-pyridinylmethyl)-2,5-pyrrolidinedione

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1C(C(=O)N(C1=O)CC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c19-15-9-14(13-6-2-1-3-7-13)16(20)18(15)11-12-5-4-8-17-10-12/h1-8,10,14H,9,11H2

InChIKey

GCTIDCUYRLPLSW-UHFFFAOYSA-N

Compound name

3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 1.3
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]+	267.112806	160.3
[M+Na]+	289.094748	168.4
[M-H]-	265.098254	167.5
[M+NH4]+	284.139353	175.4
[M+K]+	305.068688	163.5
[M+H-H2O]+	249.102790	150.7
[M+HCOO]-	311.103731	181.4
[M+CH3COO]-	325.119381	172.1
[M+Na-2H]-	287.080196	162.7
[M]+	266.10498142	158.9
[M]-	266.10607858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.