CID 165921898

Ethyl 2-bromo-5-{[(tert-butoxy)carbonyl](methyl)amino}-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C12H17BrN2O4S
SMILES
CCOC(=O)C1=C(SC(=N1)Br)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H17BrN2O4S/c1-6-18-9(16)7-8(20-10(13)14-7)15(5)11(17)19-12(2,3)4/h6H2,1-5H3
InChIKey
FAQBCFDZJQHVAV-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.00925 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01653 168.9
[M+Na]+ 386.99847 179.7
[M-H]- 363.00197 175.7
[M+NH4]+ 382.04307 187.1
[M+K]+ 402.97241 170.3
[M+H-H2O]+ 347.00651 167.9
[M+HCOO]- 409.00745 183.8
[M+CH3COO]- 423.02310 211.5
[M+Na-2H]- 384.98392 169.8
[M]+ 364.00870 194.7
[M]- 364.00980 194.7
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

No patent data available for this compound.