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 191.4
[M+Na]+ 409.12892 195.8
[M-H]- 385.13242 198.5
[M+NH4]+ 404.17352 203.2
[M+K]+ 425.10286 190.6
[M+H-H2O]+ 369.13696 181.8
[M+HCOO]- 431.13790 204.6
[M+CH3COO]- 445.15355 217.3
[M+Na-2H]- 407.11437 192.7
[M]+ 386.13915 190.6
[M]- 386.14025 190.6
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.