CID 129902136

(1s,4s,5s,7r)-3,4-dibenzyl-n-cyclohexyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

Structural Information

Molecular Formula
C26H30N2O4
SMILES
C1CCC(CC1)NC(=O)[C@H]2[C@H]3C(=O)N([C@H]([C@H](O3)O2)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C26H30N2O4/c29-24(27-20-14-8-3-9-15-20)22-23-25(30)28(17-19-12-6-2-7-13-19)21(26(31-22)32-23)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-23,26H,3,8-9,14-17H2,(H,27,29)/t21-,22+,23-,26-/m0/s1
InChIKey
HZPVKADHUDRRLO-LNEBKTTKSA-N
Compound name
(1S,4S,5S,7R)-3,4-dibenzyl-N-cyclohexyl-2-oxo-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

434.22055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.227826 204.2
[M+Na]+ 457.209768 205.3
[M-H]- 433.213274 214.0
[M+NH4]+ 452.254373 211.2
[M+K]+ 473.183708 202.2
[M+H-H2O]+ 417.217810 193.5
[M+HCOO]- 479.218751 215.0
[M+CH3COO]- 493.234401 210.7
[M+Na-2H]- 455.195216 202.4
[M]+ 434.22000142 199.6
[M]- 434.22109858 199.6
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.