CID 59336

102395-71-1

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O3/c1-3-27-20(25)22(18-7-5-4-6-8-18)13-15-24(16-14-22)21(26)23-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3,(H,23,26)
InChIKey
BHCFALRDIZKTII-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 190.1
[M+Na]+ 389.18356 193.2
[M-H]- 365.18706 197.2
[M+NH4]+ 384.22816 201.7
[M+K]+ 405.15750 189.4
[M+H-H2O]+ 349.19160 179.7
[M+HCOO]- 411.19254 207.4
[M+CH3COO]- 425.20819 216.7
[M+Na-2H]- 387.16901 191.2
[M]+ 366.19379 187.2
[M]- 366.19489 187.2
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.