CID 59325

Brn 0353878

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H23ClN2O3/c1-2-27-19(25)21(16-6-4-3-5-7-16)12-14-24(15-13-21)20(26)23-18-10-8-17(22)9-11-18/h3-11H,2,12-15H2,1H3,(H,23,26)
InChIKey
TWDHUKNNPOZKBS-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-chlorophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1397 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 191.1
[M+Na]+ 409.12892 204.0
[M+NH4]+ 404.17352 199.5
[M+K]+ 425.10286 194.3
[M-H]- 385.13242 196.4
[M+Na-2H]- 407.11437 200.7
[M]+ 386.13915 194.8
[M]- 386.14025 194.8
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.