CID 3019743

84176-72-7

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCOC(=O)N1CCC(C(C1)OCC2=CC=CC=C2)(OC)OC
InChI
InChI=1S/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3
InChIKey
GBEMWQAUUZLZOG-UHFFFAOYSA-N
Compound name
ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

323.17328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 175.9
[M+Na]+ 346.162498 180.6
[M-H]- 322.166004 180.3
[M+NH4]+ 341.207103 190.4
[M+K]+ 362.136438 179.8
[M+H-H2O]+ 306.170540 167.4
[M+HCOO]- 368.171481 193.9
[M+CH3COO]- 382.187131 205.5
[M+Na-2H]- 344.147946 178.3
[M]+ 323.17273142 179.2
[M]- 323.17382858 179.2
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