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]+ 319.089946 182.0
[M+Na]+ 341.071888 194.0
[M-H]- 317.075394 188.0
[M+NH4]+ 336.116493 193.5
[M+K]+ 357.045828 184.7
[M+H-H2O]+ 301.079930 167.0
[M+HCOO]- 363.080871 195.0
[M+CH3COO]- 377.096521 191.1
[M+Na-2H]- 339.057336 182.7
[M]+ 318.08212142 177.6
[M]- 318.08321858 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.