CID 20406

L 3881

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCC1(CSC(=NC1=O)NC(=O)C)CC
InChI
InChI=1S/C10H16N2O2S/c1-4-10(5-2)6-15-9(11-7(3)13)12-8(10)14/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKey
QSEJRBBPIPPNQI-UHFFFAOYSA-N
Compound name
N-(5,5-diethyl-4-oxo-6H-1,3-thiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.100526 148.7
[M+Na]+ 251.082468 155.7
[M-H]- 227.085974 150.9
[M+NH4]+ 246.127073 167.9
[M+K]+ 267.056408 153.5
[M+H-H2O]+ 211.090510 143.0
[M+HCOO]- 273.091451 164.2
[M+CH3COO]- 287.107101 190.0
[M+Na-2H]- 249.067916 150.8
[M]+ 228.09270142 149.9
[M]- 228.09379858 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

No patent data available for this compound.