CID 16218271

167263-10-7

Structural Information

Molecular Formula
C20H29NO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C20H29NO4/c1-5-24-17(22)20(15-16-9-7-6-8-10-16)11-13-21(14-12-20)18(23)25-19(2,3)4/h6-10H,5,11-15H2,1-4H3
InChIKey
CWWGEJKQPHMAOY-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-benzylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

347.20966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.216936 185.4
[M+Na]+ 370.198878 188.6
[M-H]- 346.202384 189.4
[M+NH4]+ 365.243483 198.8
[M+K]+ 386.172818 187.1
[M+H-H2O]+ 330.206920 177.5
[M+HCOO]- 392.207861 199.8
[M+CH3COO]- 406.223511 210.2
[M+Na-2H]- 368.184326 186.8
[M]+ 347.20911142 186.0
[M]- 347.21020858 186.0
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