CID 199589

Brn 1130950

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CCN(CC)C(=O)C1=CN(C(=O)C=C1)C2=NC=CS2
InChI
InChI=1S/C13H15N3O2S/c1-3-15(4-2)12(18)10-5-6-11(17)16(9-10)13-14-7-8-19-13/h5-9H,3-4H2,1-2H3
InChIKey
HOQAFSUSOAHSBJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 162.1
[M+Na]+ 300.07772 170.9
[M-H]- 276.08122 168.4
[M+NH4]+ 295.12232 178.4
[M+K]+ 316.05166 167.9
[M+H-H2O]+ 260.08576 153.8
[M+HCOO]- 322.08670 181.2
[M+CH3COO]- 336.10235 201.1
[M+Na-2H]- 298.06317 162.4
[M]+ 277.08795 167.1
[M]- 277.08905 167.1
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.