CID 716393

4-(4-methoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Structural Information

Molecular Formula
C19H14N2OS
SMILES
COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C19H14N2OS/c1-22-15-9-7-13(8-10-15)16-11-18(14-5-3-2-4-6-14)21-19(23)17(16)12-20/h2-11H,1H3,(H,21,23)
InChIKey
AETDFPIPBBHCQI-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.08267 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08995 182.0
[M+Na]+ 341.07189 194.0
[M-H]- 317.07539 188.0
[M+NH4]+ 336.11649 193.5
[M+K]+ 357.04583 184.7
[M+H-H2O]+ 301.07993 167.0
[M+HCOO]- 363.08087 195.0
[M+CH3COO]- 377.09652 191.1
[M+Na-2H]- 339.05734 182.7
[M]+ 318.08212 177.6
[M]- 318.08322 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.