CID 3061034

3-pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-

Structural Information

Molecular Formula
C19H12F2N2OS
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3OC(F)F
InChI
InChI=1S/C19H12F2N2OS/c20-19(21)24-17-9-5-4-8-13(17)14-10-16(12-6-2-1-3-7-12)23-18(25)15(14)11-22/h1-10,19H,(H,23,25)
InChIKey
XILRKAOXCKEMES-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.06384 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07112 177.6
[M+Na]+ 377.05306 191.4
[M+NH4]+ 372.09766 181.0
[M+K]+ 393.02700 178.4
[M-H]- 353.05656 172.9
[M+Na-2H]- 375.03851 183.2
[M]+ 354.06329 177.9
[M]- 354.06439 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.