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]+ 278.095776 162.1
[M+Na]+ 300.077718 170.9
[M-H]- 276.081224 168.4
[M+NH4]+ 295.122323 178.4
[M+K]+ 316.051658 167.9
[M+H-H2O]+ 260.085760 153.8
[M+HCOO]- 322.086701 181.2
[M+CH3COO]- 336.102351 201.1
[M+Na-2H]- 298.063166 162.4
[M]+ 277.08795142 167.1
[M]- 277.08904858 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.