CID 132317190

2126159-78-0

Structural Information

Molecular Formula
C20H32N2O3S
SMILES
CC(C)(C)C1=CSC(=N1)CC2(CC3CCC(C2)N3C(=O)OC(C)(C)C)O
InChI
InChI=1S/C20H32N2O3S/c1-18(2,3)15-12-26-16(21-15)11-20(24)9-13-7-8-14(10-20)22(13)17(23)25-19(4,5)6/h12-14,24H,7-11H2,1-6H3
InChIKey
QROGPIYPWXLZPH-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21338 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.220656 197.1
[M+Na]+ 403.202598 202.6
[M-H]- 379.206104 198.9
[M+NH4]+ 398.247203 214.1
[M+K]+ 419.176538 200.0
[M+H-H2O]+ 363.210640 193.0
[M+HCOO]- 425.211581 202.7
[M+CH3COO]- 439.227231 213.9
[M+Na-2H]- 401.188046 195.6
[M]+ 380.21283142 200.4
[M]- 380.21392858 200.4
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.