CID 3066233

M.g. 16248

Structural Information

Molecular Formula
C24H36N4O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)CCCN3C(CCCC3=O)C4=CC=CC=C4
InChI
InChI=1S/C24H36N4O2/c29-23-11-6-10-22(21-8-2-1-3-9-21)28(23)15-7-12-25-16-18-26(19-17-25)20-24(30)27-13-4-5-14-27/h1-3,8-9,22H,4-7,10-20H2
InChIKey
DRHVXPRWJNDCLP-UHFFFAOYSA-N
Compound name
1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.29108 206.0
[M+Na]+ 435.27302 205.0
[M-H]- 411.27652 210.0
[M+NH4]+ 430.31762 210.8
[M+K]+ 451.24696 199.0
[M+H-H2O]+ 395.28106 191.9
[M+HCOO]- 457.28200 212.9
[M+CH3COO]- 471.29765 209.9
[M+Na-2H]- 433.25847 198.8
[M]+ 412.28325 196.1
[M]- 412.28435 196.1
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.