CID 486888

Chembl361839

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CCC1=C(NC(=O)C(=C1CC2=NC=CS2)N(C)C)C
InChI
InChI=1S/C14H19N3OS/c1-5-10-9(2)16-14(18)13(17(3)4)11(10)8-12-15-6-7-19-12/h6-7H,5,8H2,1-4H3,(H,16,18)
InChIKey
WJBCKCYKXOEGIT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.12488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 163.4
[M+Na]+ 300.11410 173.2
[M-H]- 276.11760 168.7
[M+NH4]+ 295.15870 179.8
[M+K]+ 316.08804 168.6
[M+H-H2O]+ 260.12214 155.7
[M+HCOO]- 322.12308 181.3
[M+CH3COO]- 336.13873 202.5
[M+Na-2H]- 298.09955 162.4
[M]+ 277.12433 167.7
[M]- 277.12543 167.7
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.