CID 46942156

Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CCOC(=O)C1=NC=C(S1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H16N2O4S/c1-5-16-9(14)8-12-6-7(18-8)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
InChIKey
ADGORCZRAITKCG-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

272.08307 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 162.9
[M+Na]+ 295.07229 169.8
[M-H]- 271.07579 165.6
[M+NH4]+ 290.11689 180.1
[M+K]+ 311.04623 168.9
[M+H-H2O]+ 255.08033 156.6
[M+HCOO]- 317.08127 179.7
[M+CH3COO]- 331.09692 195.5
[M+Na-2H]- 293.05774 163.3
[M]+ 272.08252 168.9
[M]- 272.08362 168.9
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

patents stripe