CID 91811970

1823296-56-5

Structural Information

Molecular Formula
C15H22N2O4S
SMILES
CC1=C(SC(=N1)C2CCCN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-6-5-7-17(8-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19)
InChIKey
XVQDBDZNBNVCLL-UHFFFAOYSA-N
Compound name
4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 176.8
[M+Na]+ 349.11926 184.3
[M+NH4]+ 344.16386 181.8
[M+K]+ 365.09320 181.6
[M-H]- 325.12276 175.9
[M+Na-2H]- 347.10471 178.2
[M]+ 326.12949 177.7
[M]- 326.13059 177.7
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