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

53
Patents

347.20966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21694 184.4
[M+Na]+ 370.19888 193.8
[M+NH4]+ 365.24348 191.2
[M+K]+ 386.17282 187.0
[M-H]- 346.20238 185.3
[M+Na-2H]- 368.18433 190.2
[M]+ 347.20911 185.9
[M]- 347.21021 185.9
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