CID 2807782

65095-75-2

Structural Information

Molecular Formula
C9H12N2O3S2
SMILES
CCOC(=O)CC(=O)C1=C(N=C(S1)SC)N
InChI
InChI=1S/C9H12N2O3S2/c1-3-14-6(13)4-5(12)7-8(10)11-9(15-2)16-7/h3-4,10H2,1-2H3
InChIKey
BHMXRRCMVOSNQV-UHFFFAOYSA-N
Compound name
ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.02893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.036206 155.6
[M+Na]+ 283.018148 163.6
[M-H]- 259.021654 157.6
[M+NH4]+ 278.062753 173.1
[M+K]+ 298.992088 160.1
[M+H-H2O]+ 243.026190 149.3
[M+HCOO]- 305.027131 167.6
[M+CH3COO]- 319.042781 194.3
[M+Na-2H]- 281.003596 152.4
[M]+ 260.02838142 160.2
[M]- 260.02947858 160.2
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