CID 485041

2-(1-tert-butoxycarbonylamino-2-methyl-propyl)-thiazole-4-carboxylic acid, ethyl ester

Structural Information

Molecular Formula
C15H24N2O4S
SMILES
CCOC(=O)C1=CSC(=N1)C(C(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N2O4S/c1-7-20-13(18)10-8-22-12(16-10)11(9(2)3)17-14(19)21-15(4,5)6/h8-9,11H,7H2,1-6H3,(H,17,19)
InChIKey
LTBUKXCAWCXBBD-UHFFFAOYSA-N
Compound name
ethyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1457 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15298 180.1
[M+Na]+ 351.13492 184.5
[M-H]- 327.13842 182.2
[M+NH4]+ 346.17952 194.8
[M+K]+ 367.10886 183.9
[M+H-H2O]+ 311.14296 173.4
[M+HCOO]- 373.14390 193.5
[M+CH3COO]- 387.15955 209.2
[M+Na-2H]- 349.12037 176.7
[M]+ 328.14515 186.3
[M]- 328.14625 186.3
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.