CID 681240

78564-16-6

Structural Information

Molecular Formula
C18H11ClN2S
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H11ClN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKey
FKCCQSNAFVJBSN-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.03314 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04042 169.6
[M+Na]+ 345.02236 187.1
[M+NH4]+ 340.06696 175.9
[M+K]+ 360.99630 172.3
[M-H]- 321.02586 169.2
[M+Na-2H]- 343.00781 178.1
[M]+ 322.03259 172.2
[M]- 322.03369 172.2
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.