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]+ 333.180876 173.6
[M+Na]+ 355.162818 179.1
[M-H]- 331.166324 181.5
[M+NH4]+ 350.207423 180.6
[M+K]+ 371.136758 181.5
[M+H-H2O]+ 315.170860 166.4
[M+HCOO]- 377.171801 189.4
[M+CH3COO]- 391.187451 214.2
[M+Na-2H]- 353.148266 177.4
[M]+ 332.17305142 175.1
[M]- 332.17414858 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.