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]+ 435.22783 204.2
[M+Na]+ 457.20977 205.3
[M-H]- 433.21327 214.0
[M+NH4]+ 452.25437 211.2
[M+K]+ 473.18371 202.2
[M+H-H2O]+ 417.21781 193.5
[M+HCOO]- 479.21875 215.0
[M+CH3COO]- 493.23440 210.7
[M+Na-2H]- 455.19522 202.4
[M]+ 434.22000 199.6
[M]- 434.22110 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.