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]+ 402.311506 205.0
[M+Na]+ 424.293448 206.9
[M-H]- 400.296954 208.2
[M+NH4]+ 419.338053 213.2
[M+K]+ 440.267388 202.2
[M+H-H2O]+ 384.301490 192.9
[M+HCOO]- 446.302431 214.1
[M+CH3COO]- 460.318081 225.4
[M+Na-2H]- 422.278896 201.2
[M]+ 401.30368142 201.0
[M]- 401.30477858 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.