CID 129902006

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

Structural Information

Molecular Formula
C29H31N3O4
SMILES
CNCCN(C)C(=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/C29H31N3O4/c1-30-18-19-31(2)27(33)25-26-28(34)32(20-29(35-25,36-26)23-16-10-5-11-17-23)24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-26,30H,18-20H2,1-2H3/t25-,26+,29-/m1/s1
InChIKey
FAPWWKWSACKOQD-UWPQIUOOSA-N
Compound name
(1S,5S,7R)-3-benzhydryl-N-methyl-N-[2-(methylamino)ethyl]-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

485.23145 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.23873 218.3
[M+Na]+ 508.22067 220.0
[M-H]- 484.22417 230.0
[M+NH4]+ 503.26527 225.2
[M+K]+ 524.19461 218.5
[M+H-H2O]+ 468.22871 206.7
[M+HCOO]- 530.22965 232.7
[M+CH3COO]- 544.24530 224.9
[M+Na-2H]- 506.20612 218.6
[M]+ 485.23090 218.8
[M]- 485.23200 218.8
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.