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

15
Patents

317.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 179.0
[M+Na]+ 340.15194 185.0
[M-H]- 316.15544 185.9
[M+NH4]+ 335.19654 189.1
[M+K]+ 356.12588 182.6
[M+H-H2O]+ 300.15998 170.9
[M+HCOO]- 362.16092 195.8
[M+CH3COO]- 376.17657 205.8
[M+Na-2H]- 338.13739 180.7
[M]+ 317.16217 181.2
[M]- 317.16327 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