CID 3003252

[5-(dimethylamino)-3-ethyl-2-methyl-6-thioxo-1h-pyridin-4-yl]-(3,5-dimethylphenyl)methanone

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CCC1=C(NC(=S)C(=C1C(=O)C2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C19H24N2OS/c1-7-15-13(4)20-19(23)17(21(5)6)16(15)18(22)14-9-11(2)8-12(3)10-14/h8-10H,7H2,1-6H3,(H,20,23)
InChIKey
PJDVGBQYSQHCGV-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-3-ethyl-2-methyl-6-sulfanylidene-1H-pyridin-4-yl]-(3,5-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16095 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16823 176.6
[M+Na]+ 351.15017 185.6
[M-H]- 327.15367 182.9
[M+NH4]+ 346.19477 190.5
[M+K]+ 367.12411 179.8
[M+H-H2O]+ 311.15821 168.6
[M+HCOO]- 373.15915 192.1
[M+CH3COO]- 387.17480 217.5
[M+Na-2H]- 349.13562 173.4
[M]+ 328.16040 180.7
[M]- 328.16150 180.7
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.