CID 16076188

Tert-butyl n-[(1s,3r,7r)-5-benzyl-4-oxo-8-oxa-5-azabicyclo[5.1.0]octan-3-yl]carbamate

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2[C@H](O2)CN(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H24N2O4/c1-18(2,3)24-17(22)19-13-9-14-15(23-14)11-20(16(13)21)10-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,22)/t13-,14+,15-/m1/s1
InChIKey
JQGXFAHNHXRVFN-QLFBSQMISA-N
Compound name
tert-butyl N-[(1R,5R,7S)-3-benzyl-4-oxo-8-oxa-3-azabicyclo[5.1.0]octan-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 173.6
[M+Na]+ 355.16282 179.1
[M-H]- 331.16632 181.5
[M+NH4]+ 350.20742 180.6
[M+K]+ 371.13676 181.5
[M+H-H2O]+ 315.17086 166.4
[M+HCOO]- 377.17180 189.4
[M+CH3COO]- 391.18745 214.2
[M+Na-2H]- 353.14827 177.4
[M]+ 332.17305 175.1
[M]- 332.17415 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.