CID 57389435

(2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

Structural Information

Molecular Formula
C14H17N3O3
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12+/m1/s1
InChIKey
HYTSWLKLRKLRHK-NEPJUHHUSA-N
Compound name
(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

275.12698 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 161.7
[M+Na]+ 298.11620 167.6
[M-H]- 274.11970 164.2
[M+NH4]+ 293.16080 177.6
[M+K]+ 314.09014 164.3
[M+H-H2O]+ 258.12424 153.5
[M+HCOO]- 320.12518 178.4
[M+CH3COO]- 334.14083 200.9
[M+Na-2H]- 296.10165 163.6
[M]+ 275.12643 159.4
[M]- 275.12753 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe