CID 206922

28867-20-1

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCC(=O)OC1(CC(N(CC1(C)CN2CCCCC2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H36N2O2/c1-5-21(26)27-23(20-12-8-6-9-13-20)16-19(2)24(4)17-22(23,3)18-25-14-10-7-11-15-25/h6,8-9,12-13,19H,5,7,10-11,14-18H2,1-4H3
InChIKey
IVCDZNXOCOAKOB-UHFFFAOYSA-N
Compound name
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 195.8
[M+Na]+ 395.26690 207.0
[M+NH4]+ 390.31150 205.5
[M+K]+ 411.24084 195.5
[M-H]- 371.27040 200.3
[M+Na-2H]- 393.25235 204.1
[M]+ 372.27713 198.9
[M]- 372.27823 198.9
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.