CID 129904097

(1s,5s,6r)-3-benzyl-n-(2-hydroxyethyl)-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide

Structural Information

Molecular Formula
C15H18N2O5
SMILES
C1[C@@H]2O[C@@H]([C@@H](O2)C(=O)NCCO)C(=O)N1CC3=CC=CC=C3
InChI
InChI=1S/C15H18N2O5/c18-7-6-16-14(19)12-13-15(20)17(9-11(21-12)22-13)8-10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2,(H,16,19)/t11-,12+,13-/m0/s1
InChIKey
BFGRVDLSWZETLP-XQQFMLRXSA-N
Compound name
(1S,5S,7R)-3-benzyl-N-(2-hydroxyethyl)-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

306.12158 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 168.4
[M+Na]+ 329.11080 173.5
[M-H]- 305.11430 172.5
[M+NH4]+ 324.15540 181.3
[M+K]+ 345.08474 172.6
[M+H-H2O]+ 289.11884 161.2
[M+HCOO]- 351.11978 183.6
[M+CH3COO]- 365.13543 203.7
[M+Na-2H]- 327.09625 171.9
[M]+ 306.12103 169.1
[M]- 306.12213 169.1
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.