CID 210796

Dtxsid80944231

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCOC(=O)CCN1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C19H27NO4/c1-3-23-17(21)10-13-20-14-11-19(12-15-20,18(22)24-4-2)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKey
GYKGSJRVVFGGJW-UHFFFAOYSA-N
Compound name
ethyl 1-(3-ethoxy-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.201276 181.5
[M+Na]+ 356.183218 184.6
[M-H]- 332.186724 185.2
[M+NH4]+ 351.227823 195.2
[M+K]+ 372.157158 182.5
[M+H-H2O]+ 316.191260 172.8
[M+HCOO]- 378.192201 197.8
[M+CH3COO]- 392.207851 208.2
[M+Na-2H]- 354.168666 182.2
[M]+ 333.19345142 182.2
[M]- 333.19454858 182.2
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