CID 145915

88594-78-9

Structural Information

Molecular Formula

C₁₄H₉N₃O

SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H9N3O/c1-9-13(6-12(8-16)14(18)17-9)11-4-2-10(7-15)3-5-11/h2-6H,1H3,(H,17,18)

InChIKey

NMIRAZSAZYNODX-UHFFFAOYSA-N

Compound name

5-(4-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 235.07455 Da
Monoisotopic Mass: 0.8
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]+	236.08183	176.3
[M+Na]+	258.06377	186.8
[M+NH4]+	253.10837	176.8
[M+K]+	274.03771	175.5
[M-H]-	234.06727	167.4
[M+Na-2H]-	256.04922	176.9
[M]+	235.07400	174.1
[M]-	235.07510	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe