CID 138054099

2248281-46-9

Structural Information

Molecular Formula
C15H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-6-4-10(5-7-17)8-12-16-11(9-22-12)13(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKey
LBFUNRJFMVBTSC-UHFFFAOYSA-N
Compound name
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13004 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.137316 177.5
[M+Na]+ 349.119258 182.3
[M-H]- 325.122764 179.8
[M+NH4]+ 344.163863 190.5
[M+K]+ 365.093198 179.9
[M+H-H2O]+ 309.127300 170.6
[M+HCOO]- 371.128241 186.7
[M+CH3COO]- 385.143891 201.5
[M+Na-2H]- 347.104706 174.3
[M]+ 326.12949142 178.3
[M]- 326.13058858 178.3
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.