CID 138054100

2248367-61-3

Structural Information

Molecular Formula
C16H24N2O4S
SMILES
CC1=C(SC(=N1)CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H24N2O4S/c1-10-13(14(19)20)23-12(17-10)9-11-5-7-18(8-6-11)15(21)22-16(2,3)4/h11H,5-9H2,1-4H3,(H,19,20)
InChIKey
CLGYUXCQZZIKOD-UHFFFAOYSA-N
Compound name
4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15298 181.4
[M+Na]+ 363.13492 186.5
[M-H]- 339.13842 183.8
[M+NH4]+ 358.17952 194.0
[M+K]+ 379.10886 183.9
[M+H-H2O]+ 323.14296 174.6
[M+HCOO]- 385.14390 190.1
[M+CH3COO]- 399.15955 205.7
[M+Na-2H]- 361.12037 177.1
[M]+ 340.14515 182.9
[M]- 340.14625 182.9
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.