CID 485053

Ethyl 2-[1-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]thiazole-4-carboxylate

Structural Information

Molecular Formula
C15H22N2O6S
SMILES
CCOC(=O)C1=CSC(=N1)C(CC(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H22N2O6S/c1-6-22-13(19)10-8-24-12(16-10)9(7-11(18)21-5)17-14(20)23-15(2,3)4/h8-9H,6-7H2,1-5H3,(H,17,20)
InChIKey
VYSRWNLWWXMTAW-UHFFFAOYSA-N
Compound name
ethyl 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.11984 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12712 184.6
[M+Na]+ 381.10906 188.8
[M-H]- 357.11256 186.7
[M+NH4]+ 376.15366 197.8
[M+K]+ 397.08300 188.9
[M+H-H2O]+ 341.11710 177.7
[M+HCOO]- 403.11804 198.7
[M+CH3COO]- 417.13369 211.9
[M+Na-2H]- 379.09451 181.9
[M]+ 358.11929 192.8
[M]- 358.12039 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.