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]+ 421.25981 203.2
[M+Na]+ 443.24175 201.1
[M-H]- 419.24525 209.6
[M+NH4]+ 438.28635 206.9
[M+K]+ 459.21569 196.3
[M+H-H2O]+ 403.24979 188.7
[M+HCOO]- 465.25073 213.7
[M+CH3COO]- 479.26638 207.6
[M+Na-2H]- 441.22720 201.5
[M]+ 420.25198 194.1
[M]- 420.25308 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.