CID 129902034

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

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CCCCNC(=O)[C@H]1[C@H]2C(=O)N([C@H]([C@H](O2)O1)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H28N2O4/c1-2-3-14-25-22(27)20-21-23(28)26(16-18-12-8-5-9-13-18)19(24(29-20)30-21)15-17-10-6-4-7-11-17/h4-13,19-21,24H,2-3,14-16H2,1H3,(H,25,27)/t19-,20+,21-,24-/m0/s1
InChIKey
UQOOYKXHVGTCCC-XARGGIHNSA-N
Compound name
(1S,4S,5S,7R)-3,4-dibenzyl-N-butyl-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

408.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 200.9
[M+Na]+ 431.19412 204.7
[M-H]- 407.19762 208.8
[M+NH4]+ 426.23872 209.9
[M+K]+ 447.16806 201.8
[M+H-H2O]+ 391.20216 191.3
[M+HCOO]- 453.20310 215.5
[M+CH3COO]- 467.21875 227.8
[M+Na-2H]- 429.17957 201.0
[M]+ 408.20435 202.6
[M]- 408.20545 202.6
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.