CID 146070

Il 10

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=C(N=CC=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-11-6-5-9-17-15(11)18-14(19)10-13(16(18)20)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3

InChIKey

DYDZWJOECBIVHD-UHFFFAOYSA-N

Compound name

1-(3-methylpyridin-2-yl)-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 266.10553 Da
Monoisotopic Mass: 2.0
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]+	267.11281	161.7
[M+Na]+	289.09475	176.6
[M+NH4]+	284.13935	169.5
[M+K]+	305.06869	170.8
[M-H]-	265.09825	166.4
[M+Na-2H]-	287.08020	170.4
[M]+	266.10498	165.1
[M]-	266.10608	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe