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]+ 329.168226 176.6
[M+Na]+ 351.150168 185.6
[M-H]- 327.153674 182.9
[M+NH4]+ 346.194773 190.5
[M+K]+ 367.124108 179.8
[M+H-H2O]+ 311.158210 168.6
[M+HCOO]- 373.159151 192.1
[M+CH3COO]- 387.174801 217.5
[M+Na-2H]- 349.135616 173.4
[M]+ 328.16040142 180.7
[M]- 328.16149858 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.