CID 129902134

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

Structural Information

Molecular Formula
C28H28N2O4
SMILES
CCCNC(=O)[C@H]1[C@H]2C(=O)N(C[C@](O2)(O1)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2O4/c1-2-18-29-26(31)24-25-27(32)30(19-28(33-24,34-25)22-16-10-5-11-17-22)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,23-25H,2,18-19H2,1H3,(H,29,31)/t24-,25+,28-/m1/s1
InChIKey
MQOQIXIAGWHBLE-CERRFVOPSA-N
Compound name
(1S,5S,7R)-3-benzhydryl-2-oxo-5-phenyl-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

456.2049 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21218 211.2
[M+Na]+ 479.19412 214.3
[M-H]- 455.19762 222.0
[M+NH4]+ 474.23872 219.2
[M+K]+ 495.16806 211.4
[M+H-H2O]+ 439.20216 200.1
[M+HCOO]- 501.20310 224.6
[M+CH3COO]- 515.21875 218.3
[M+Na-2H]- 477.17957 211.8
[M]+ 456.20435 210.8
[M]- 456.20545 210.8
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.