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]+ 381.22066 192.4
[M+Na]+ 403.20260 198.4
[M+NH4]+ 398.24720 199.8
[M+K]+ 419.17654 194.8
[M-H]- 379.20610 190.8
[M+Na-2H]- 401.18805 193.3
[M]+ 380.21283 193.2
[M]- 380.21393 193.2
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.