CID 3059755

Brn 5301665

Structural Information

Molecular Formula
C24H29NO2
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO2/c26-23(20-10-4-1-5-11-20)27-22-14-18-25(19-15-22)24(16-8-3-9-17-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKey
JFAFXVQPZSHYRA-UHFFFAOYSA-N
Compound name
[1-(1-phenylcyclohexyl)piperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 192.1
[M+Na]+ 386.20904 192.4
[M-H]- 362.21254 200.5
[M+NH4]+ 381.25364 202.9
[M+K]+ 402.18298 187.4
[M+H-H2O]+ 346.21708 179.8
[M+HCOO]- 408.21802 205.0
[M+CH3COO]- 422.23367 198.8
[M+Na-2H]- 384.19449 192.1
[M]+ 363.21927 182.8
[M]- 363.22037 182.8
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.