CID 486994

Chembl184934

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CS2)N(C)C)C
InChI
InChI=1S/C15H18N2O2S/c1-5-10-9(2)16-15(19)13(17(3)4)12(10)14(18)11-7-6-8-20-11/h6-8H,5H2,1-4H3,(H,16,19)
InChIKey
PZFWWAGZCQGNSK-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(thiophene-2-carbonyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1089 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 166.3
[M+Na]+ 313.09812 175.2
[M-H]- 289.10162 172.9
[M+NH4]+ 308.14272 183.2
[M+K]+ 329.07206 171.1
[M+H-H2O]+ 273.10616 159.2
[M+HCOO]- 335.10710 184.4
[M+CH3COO]- 349.12275 205.0
[M+Na-2H]- 311.08357 164.0
[M]+ 290.10835 170.5
[M]- 290.10945 170.5
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.