CID 3047649

63867-77-6

Structural Information

Molecular Formula
C24H39N3O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCN2CCN(CC2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C24H39N3O2/c1-5-23(28)29-24(22-10-7-6-8-11-22)18-21(3)27(19-20(24)2)13-9-12-26-16-14-25(4)15-17-26/h6-8,10-11,20-21H,5,9,12-19H2,1-4H3
InChIKey
KFOPYMUOFLGVJA-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.30423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.31151 205.0
[M+Na]+ 424.29345 206.9
[M-H]- 400.29695 208.2
[M+NH4]+ 419.33805 213.2
[M+K]+ 440.26739 202.2
[M+H-H2O]+ 384.30149 192.9
[M+HCOO]- 446.30243 214.1
[M+CH3COO]- 460.31808 225.4
[M+Na-2H]- 422.27890 201.2
[M]+ 401.30368 201.0
[M]- 401.30478 201.0
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.