CID 59395231

6-benzyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCOC(=O)C1CC12CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey
HPESIWGAJLAFOB-UHFFFAOYSA-N
Compound name
6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

317.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 179.0
[M+Na]+ 340.151938 185.0
[M-H]- 316.155444 185.9
[M+NH4]+ 335.196543 189.1
[M+K]+ 356.125878 182.6
[M+H-H2O]+ 300.159980 170.9
[M+HCOO]- 362.160921 195.8
[M+CH3COO]- 376.176571 205.8
[M+Na-2H]- 338.137386 180.7
[M]+ 317.16217142 181.2
[M]- 317.16326858 181.2
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

patents stripe