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]+ 327.13732 177.5
[M+Na]+ 349.11926 182.3
[M-H]- 325.12276 179.8
[M+NH4]+ 344.16386 190.5
[M+K]+ 365.09320 179.9
[M+H-H2O]+ 309.12730 170.6
[M+HCOO]- 371.12824 186.7
[M+CH3COO]- 385.14389 201.5
[M+Na-2H]- 347.10471 174.3
[M]+ 326.12949 178.3
[M]- 326.13059 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.