CID 11971510

103807-34-7

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CCC1C(=O)NC(=C(S1)C2=CC=NC=C2)C
InChI
InChI=1S/C12H14N2OS/c1-3-10-12(15)14-8(2)11(16-10)9-4-6-13-7-5-9/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKey
VYLRKCVSVIYLTR-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.08269 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 151.1
[M+Na]+ 257.07191 159.5
[M-H]- 233.07541 153.9
[M+NH4]+ 252.11651 166.4
[M+K]+ 273.04585 154.2
[M+H-H2O]+ 217.07995 143.5
[M+HCOO]- 279.08089 164.5
[M+CH3COO]- 293.09654 187.8
[M+Na-2H]- 255.05736 152.6
[M]+ 234.08214 149.9
[M]- 234.08324 149.9
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

patents stripe