CID 16218275

917755-77-2

Structural Information

Molecular Formula
C20H28FNO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)F
InChI
InChI=1S/C20H28FNO4/c1-5-25-17(23)20(14-15-6-8-16(21)9-7-15)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14H2,1-4H3
InChIKey
KIIYXHXWARGQKK-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

365.20023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20751 187.8
[M+Na]+ 388.18945 192.0
[M-H]- 364.19295 190.8
[M+NH4]+ 383.23405 200.8
[M+K]+ 404.16339 190.1
[M+H-H2O]+ 348.19749 179.2
[M+HCOO]- 410.19843 201.2
[M+CH3COO]- 424.21408 214.1
[M+Na-2H]- 386.17490 188.0
[M]+ 365.19968 187.7
[M]- 365.20078 187.7
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