CID 71305345

1251016-26-8

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CN(C2)C(=O)OCC3=CC=CC=C3)CO
InChI
InChI=1S/C20H28N2O5/c1-19(2,3)27-18(25)22-16-9-10-20(22,14-23)13-21(11-16)17(24)26-12-15-7-5-4-6-8-15/h4-8,16,23H,9-14H2,1-3H3
InChIKey
LCNSZIKJRXSBTI-UHFFFAOYSA-N
Compound name
3-O-benzyl 8-O-tert-butyl 1-(hydroxymethyl)-3,8-diazabicyclo[3.2.1]octane-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.19983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20711 189.3
[M+Na]+ 399.18905 196.6
[M+NH4]+ 394.23365 195.3
[M+K]+ 415.16299 193.1
[M-H]- 375.19255 187.6
[M+Na-2H]- 397.17450 191.1
[M]+ 376.19928 189.6
[M]- 376.20038 189.6
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

patents stripe