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

2
Patents

350.09363 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10091 180.6
[M+Na]+ 373.08285 186.8
[M-H]- 349.08635 186.3
[M+NH4]+ 368.12745 194.2
[M+K]+ 389.05679 184.4
[M+H-H2O]+ 333.09089 172.3
[M+HCOO]- 395.09183 199.2
[M+CH3COO]- 409.10748 209.8
[M+Na-2H]- 371.06830 179.8
[M]+ 350.09308 188.3
[M]- 350.09418 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