CID 9879103

Azd6538

Structural Information

Molecular Formula

C₁₅H₆FN₅O

SMILES

C1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

InChI

InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H

InChIKey

PBVKGEMPZBKZOA-UHFFFAOYSA-N

Compound name

6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 291.05563 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]+	292.06291	164.4
[M+Na]+	314.04485	175.4
[M-H]-	290.04835	165.4
[M+NH4]+	309.08945	170.8
[M+K]+	330.01879	169.3
[M+H-H2O]+	274.05289	144.0
[M+HCOO]-	336.05383	173.6
[M+CH3COO]-	350.06948	170.2
[M+Na-2H]-	312.03030	165.1
[M]+	291.05508	155.8
[M]-	291.05618	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe