CID 3067451

2-ethoxyethyl n-(4-(4-methoxyphenyl)thiazol-2-yl)oxamate

Structural Information

Molecular Formula
C16H18N2O5S
SMILES
CCOCCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H18N2O5S/c1-3-22-8-9-23-15(20)14(19)18-16-17-13(10-24-16)11-4-6-12(21-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKey
OJNVCEZZRUGANK-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.09363 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.100906 180.6
[M+Na]+ 373.082848 186.8
[M-H]- 349.086354 186.3
[M+NH4]+ 368.127453 194.2
[M+K]+ 389.056788 184.4
[M+H-H2O]+ 333.090890 172.3
[M+HCOO]- 395.091831 199.2
[M+CH3COO]- 409.107481 209.8
[M+Na-2H]- 371.068296 179.8
[M]+ 350.09308142 188.3
[M]- 350.09417858 188.3
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