CID 108246

Brn 1501101

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCN2CCCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C23H36N2O2/c1-4-22(26)27-23(21-11-6-5-7-12-21)17-20(3)25(18-19(23)2)16-10-15-24-13-8-9-14-24/h5-7,11-12,19-20H,4,8-10,13-18H2,1-3H3
InChIKey
UGHTXONKXAKVEM-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 195.9
[M+Na]+ 395.26690 198.2
[M-H]- 371.27040 201.0
[M+NH4]+ 390.31150 208.5
[M+K]+ 411.24084 193.8
[M+H-H2O]+ 355.27494 185.6
[M+HCOO]- 417.27588 209.1
[M+CH3COO]- 431.29153 218.0
[M+Na-2H]- 393.25235 191.6
[M]+ 372.27713 192.9
[M]- 372.27823 192.9
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.