CID 75454499

1638643-12-5

Structural Information

Molecular Formula
C21H28N2O5
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@@H](C1)C2=O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H28N2O5/c1-21(2,3)28-20(26)23-11-15-9-17(10-16(12-23)18(15)24)22-19(25)27-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,22,25)/t15-,16+,17?
InChIKey
HFWSQLAEJMOTOX-SJPCQFCGSA-N
Compound name
tert-butyl (1S,5R)-9-oxo-7-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19983 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20711 190.9
[M+Na]+ 411.18905 198.8
[M+NH4]+ 406.23365 195.9
[M+K]+ 427.16299 194.6
[M-H]- 387.19255 191.3
[M+Na-2H]- 409.17450 192.3
[M]+ 388.19928 191.6
[M]- 388.20038 191.6
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.