CID 46942156

1246549-82-5

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 163.5
[M+Na]+ 295.07229 170.3
[M+NH4]+ 290.11689 168.6
[M+K]+ 311.04623 167.6
[M-H]- 271.07579 161.8
[M+Na-2H]- 293.05774 165.1
[M]+ 272.08252 164.0
[M]- 272.08362 164.0
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