CID 129903915

(1s,5s,6r)-3-benzyl-n-cyclohexyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide

Structural Information

Molecular Formula
C19H24N2O4
SMILES
C1CCC(CC1)NC(=O)[C@H]2[C@H]3C(=O)N(C[C@H](O3)O2)CC4=CC=CC=C4
InChI
InChI=1S/C19H24N2O4/c22-18(20-14-9-5-2-6-10-14)16-17-19(23)21(12-15(24-16)25-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-17H,2,5-6,9-12H2,(H,20,22)/t15-,16+,17-/m0/s1
InChIKey
RCWNWQPTEGQUNZ-BBWFWOEESA-N
Compound name
(1S,5S,7R)-3-benzyl-N-cyclohexyl-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

344.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 179.8
[M+Na]+ 367.16282 182.0
[M-H]- 343.16632 187.1
[M+NH4]+ 362.20742 191.1
[M+K]+ 383.13676 180.5
[M+H-H2O]+ 327.17086 171.1
[M+HCOO]- 389.17180 192.0
[M+CH3COO]- 403.18745 188.2
[M+Na-2H]- 365.14827 180.5
[M]+ 344.17305 175.4
[M]- 344.17415 175.4
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.