CID 331769

Nsc326382

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H14N2O2/c1-23-15-9-7-13(8-10-15)16-11-18(14-5-3-2-4-6-14)21-19(22)17(16)12-20/h2-11H,1H3,(H,21,22)

InChIKey

KASNPOYHLFNPSI-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 302.10553 Da
Monoisotopic Mass: 2.9
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]+	303.112806	175.6
[M+Na]+	325.094748	186.8
[M-H]-	301.098254	180.9
[M+NH4]+	320.139353	186.6
[M+K]+	341.068688	178.4
[M+H-H2O]+	285.102790	159.7
[M+HCOO]-	347.103731	193.2
[M+CH3COO]-	361.119381	185.0
[M+Na-2H]-	323.080196	178.7
[M]+	302.10498142	170.2
[M]-	302.10607858	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe