CID 129902116

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

Structural Information

Molecular Formula
C27H26N2O5
SMILES
C1[C@@]2(O[C@@H]([C@@H](O2)C(=O)NCCO)C(=O)N1C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O5/c30-17-16-28-25(31)23-24-26(32)29(18-27(33-23,34-24)21-14-8-3-9-15-21)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22-24,30H,16-18H2,(H,28,31)/t23-,24+,27-/m1/s1
InChIKey
SIPMXYNXVRAYTI-ONBPZOJHSA-N
Compound name
(1S,5S,7R)-3-benzhydryl-N-(2-hydroxyethyl)-2-oxo-5-phenyl-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

458.18417 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19145 208.5
[M+Na]+ 481.17339 211.4
[M-H]- 457.17689 218.2
[M+NH4]+ 476.21799 215.6
[M+K]+ 497.14733 208.8
[M+H-H2O]+ 441.18143 197.9
[M+HCOO]- 503.18237 220.9
[M+CH3COO]- 517.19802 215.3
[M+Na-2H]- 479.15884 209.8
[M]+ 458.18362 207.6
[M]- 458.18472 207.6
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.