CID 3066006

1-(3-piperidinopropionyl)-4-(diphenylcarbamoyl)piperazine

Structural Information

Molecular Formula
C25H32N4O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N4O2/c30-24(14-17-26-15-8-3-9-16-26)27-18-20-28(21-19-27)25(31)29(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13H,3,8-9,14-21H2
InChIKey
MMTPTWSDDDQENN-UHFFFAOYSA-N
Compound name
N,N-diphenyl-4-(3-piperidin-1-ylpropanoyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.25253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 203.2
[M+Na]+ 443.241748 201.1
[M-H]- 419.245254 209.6
[M+NH4]+ 438.286353 206.9
[M+K]+ 459.215688 196.3
[M+H-H2O]+ 403.249790 188.7
[M+HCOO]- 465.250731 213.7
[M+CH3COO]- 479.266381 207.6
[M+Na-2H]- 441.227196 201.5
[M]+ 420.25198142 194.1
[M]- 420.25307858 194.1
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.