CID 3041638

Brn 1501100

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN2CCCCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C23H36N2O2/c1-4-22(26)27-23(21-11-7-5-8-12-21)17-20(3)25(18-19(23)2)16-15-24-13-9-6-10-14-24/h5,7-8,11-12,19-20H,4,6,9-10,13-18H2,1-3H3
InChIKey
BXLWCIBKXBTODH-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(2-piperidin-1-ylethyl)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 196.6
[M+Na]+ 395.26690 197.9
[M-H]- 371.27040 201.0
[M+NH4]+ 390.31150 207.1
[M+K]+ 411.24084 193.7
[M+H-H2O]+ 355.27494 185.3
[M+HCOO]- 417.27588 207.3
[M+CH3COO]- 431.29153 218.6
[M+Na-2H]- 393.25235 193.9
[M]+ 372.27713 191.2
[M]- 372.27823 191.2
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.