CID 129901914

(1s,4s,5s,7r)-3,4-dibenzyl-7-(morpholine-4-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-2-one

Structural Information

Molecular Formula
C24H26N2O5
SMILES
C1COCCN1C(=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/C24H26N2O5/c27-22(25-11-13-29-14-12-25)20-21-23(28)26(16-18-9-5-2-6-10-18)19(24(30-20)31-21)15-17-7-3-1-4-8-17/h1-10,19-21,24H,11-16H2/t19-,20+,21-,24-/m0/s1
InChIKey
VNBKQSNZKJYNHY-XARGGIHNSA-N
Compound name
(1S,4S,5S,7R)-3,4-dibenzyl-7-(morpholine-4-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18417 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 200.7
[M+Na]+ 445.17339 203.6
[M-H]- 421.17689 210.2
[M+NH4]+ 440.21799 205.7
[M+K]+ 461.14733 202.3
[M+H-H2O]+ 405.18143 189.7
[M+HCOO]- 467.18237 209.0
[M+CH3COO]- 481.19802 207.6
[M+Na-2H]- 443.15884 199.1
[M]+ 422.18362 198.5
[M]- 422.18472 198.5
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.