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 180.8
[M+Na]+ 345.02236 194.2
[M-H]- 321.02586 186.8
[M+NH4]+ 340.06696 193.1
[M+K]+ 360.99630 183.1
[M+H-H2O]+ 305.03040 166.8
[M+HCOO]- 367.03134 189.9
[M+CH3COO]- 381.04699 190.2
[M+Na-2H]- 343.00781 181.5
[M]+ 322.03259 177.0
[M]- 322.03369 177.0
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.