CID 129901931

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

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CCCNC(=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/C23H26N2O4/c1-2-13-24-21(26)19-20-22(27)25(15-17-11-7-4-8-12-17)18(23(28-19)29-20)14-16-9-5-3-6-10-16/h3-12,18-20,23H,2,13-15H2,1H3,(H,24,26)/t18-,19+,20-,23-/m0/s1
InChIKey
XUMLTMSJLSGHRV-SRYPRDQNSA-N
Compound name
(1S,4S,5S,7R)-3,4-dibenzyl-2-oxo-N-propyl-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

394.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 196.3
[M+Na]+ 417.17849 200.7
[M-H]- 393.18199 204.5
[M+NH4]+ 412.22309 206.0
[M+K]+ 433.15243 197.9
[M+H-H2O]+ 377.18653 186.9
[M+HCOO]- 439.18747 211.3
[M+CH3COO]- 453.20312 224.8
[M+Na-2H]- 415.16394 197.0
[M]+ 394.18872 197.8
[M]- 394.18982 197.8
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.