CID 129903872

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

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C[C@@H](CO)NC(=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/C23H26N2O5/c1-15(14-26)24-21(27)19-20-22(28)25(13-17-10-6-3-7-11-17)18(23(29-19)30-20)12-16-8-4-2-5-9-16/h2-11,15,18-20,23,26H,12-14H2,1H3,(H,24,27)/t15-,18+,19+,20-,23-/m0/s1
InChIKey
KJLFUIBGTUCNMY-BJTMNOAGSA-N
Compound name
(1S,4R,5S,7R)-3,4-dibenzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-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

410.18417 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 198.8
[M+Na]+ 433.17339 202.0
[M-H]- 409.17689 205.7
[M+NH4]+ 428.21799 206.9
[M+K]+ 449.14733 200.0
[M+H-H2O]+ 393.18143 189.8
[M+HCOO]- 455.18237 211.4
[M+CH3COO]- 469.19802 226.0
[M+Na-2H]- 431.15884 198.3
[M]+ 410.18362 199.3
[M]- 410.18472 199.4
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.