CID 3087890

Sodium 6-methyl-4-phenyl-5-acetyl-3-cyano-1,4-dihydropyridine-2-thiolate

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CC1=C(C(C(=C(N1)S)C#N)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C15H14N2OS/c1-9-13(10(2)18)14(11-6-4-3-5-7-11)12(8-16)15(19)17-9/h3-7,14,17,19H,1-2H3
InChIKey
OSXCXQRKZHSHCB-UHFFFAOYSA-N
Compound name
5-acetyl-6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

270.08267 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 157.1
[M+Na]+ 293.07189 170.2
[M+NH4]+ 288.11649 161.8
[M+K]+ 309.04583 158.8
[M-H]- 269.07539 153.3
[M+Na-2H]- 291.05734 161.4
[M]+ 270.08212 157.5
[M]- 270.08322 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.