CID 3064360

1-(trans-2-phenylcyclopropylmethyl)-4-phenyl-4-piperidyl propionate hydrochloride

Structural Information

Molecular Formula
C24H29NO2
SMILES
CCC(=O)OC1(CCN(CC1)C[C@@H]2C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO2/c1-2-23(26)27-24(21-11-7-4-8-12-21)13-15-25(16-14-24)18-20-17-22(20)19-9-5-3-6-10-19/h3-12,20,22H,2,13-18H2,1H3/t20-,22-/m0/s1
InChIKey
HEEWEJRFSATIEJ-UNMCSNQZSA-N
Compound name
[4-phenyl-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 189.7
[M+Na]+ 386.20904 194.5
[M-H]- 362.21254 199.7
[M+NH4]+ 381.25364 197.2
[M+K]+ 402.18298 190.4
[M+H-H2O]+ 346.21708 179.5
[M+HCOO]- 408.21802 206.6
[M+CH3COO]- 422.23367 198.0
[M+Na-2H]- 384.19449 190.5
[M]+ 363.21927 189.2
[M]- 363.22037 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.