CID 129903969

(1s,5s,6r)-3-benzyl-4-oxo-n-phenethyl-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1[C@@H]2O[C@@H]([C@@H](O2)C(=O)NCCC3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4
InChI
InChI=1S/C21H22N2O4/c24-20(22-12-11-15-7-3-1-4-8-15)18-19-21(25)23(14-17(26-18)27-19)13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,22,24)/t17-,18+,19-/m0/s1
InChIKey
UDEWNUKDNPXDHH-OTWHNJEPSA-N
Compound name
(1S,5S,7R)-3-benzyl-2-oxo-N-(2-phenylethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 186.1
[M+Na]+ 389.14718 190.5
[M-H]- 365.15068 194.3
[M+NH4]+ 384.19178 196.7
[M+K]+ 405.12112 188.1
[M+H-H2O]+ 349.15522 176.9
[M+HCOO]- 411.15616 201.9
[M+CH3COO]- 425.17181 195.2
[M+Na-2H]- 387.13263 188.6
[M]+ 366.15741 186.5
[M]- 366.15851 186.5
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.