CID 3071506

137427-83-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

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

InChI

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

InChIKey

XDIBPFPBFNGMGH-UHFFFAOYSA-N

Compound name

4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 266.10553 Da
Monoisotopic Mass: 1.5
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	160.5
[M+Na]+	289.094748	167.5
[M-H]-	265.098254	167.5
[M+NH4]+	284.139353	175.3
[M+K]+	305.068688	163.1
[M+H-H2O]+	249.102790	150.9
[M+HCOO]-	311.103731	180.6
[M+CH3COO]-	325.119381	171.9
[M+Na-2H]-	287.080196	162.5
[M]+	266.10498142	158.1
[M]-	266.10607858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe