CID 59319

Brn 0339347

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O3/c1-2-26-19(24)21(17-9-5-3-6-10-17)13-15-23(16-14-21)20(25)22-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,22,25)
InChIKey
HPJHYOXTAUCLAH-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-(phenylcarbamoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 186.1
[M+Na]+ 375.16790 197.8
[M+NH4]+ 370.21250 194.2
[M+K]+ 391.14184 188.8
[M-H]- 351.17140 191.3
[M+Na-2H]- 373.15335 195.8
[M]+ 352.17813 189.2
[M]- 352.17923 189.2
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

No patent data available for this compound.