CID 2795531

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)11-15-10(8-21-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey
KIRRXZPLONWSFO-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

312.11438 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 173.2
[M+Na]+ 335.10360 178.4
[M-H]- 311.10710 175.7
[M+NH4]+ 330.14820 186.8
[M+K]+ 351.07754 176.2
[M+H-H2O]+ 295.11164 166.5
[M+HCOO]- 357.11258 182.7
[M+CH3COO]- 371.12823 198.5
[M+Na-2H]- 333.08905 170.4
[M]+ 312.11383 173.7
[M]- 312.11493 173.7
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

patents stripe