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]+ 229.10053 148.7
[M+Na]+ 251.08247 155.7
[M-H]- 227.08597 150.9
[M+NH4]+ 246.12707 167.9
[M+K]+ 267.05641 153.5
[M+H-H2O]+ 211.09051 143.0
[M+HCOO]- 273.09145 164.2
[M+CH3COO]- 287.10710 190.0
[M+Na-2H]- 249.06792 150.8
[M]+ 228.09270 149.9
[M]- 228.09380 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.