CID 3066011

1-(diphenylcarbamoyl)-4-(2-hydroxy-3-piperidinopropyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C25H34N4O2
SMILES
C1CCN(CC1)CC(CN2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C25H34N4O2/c30-24(20-26-14-8-3-9-15-26)21-27-16-18-28(19-17-27)25(31)29(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24,30H,3,8-9,14-21H2
InChIKey
XZBMOHFETFALAC-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-piperidin-1-ylpropyl)-N,N-diphenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.2682 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.27548 205.3
[M+Na]+ 445.25742 215.6
[M+NH4]+ 440.30202 211.1
[M+K]+ 461.23136 208.6
[M-H]- 421.26092 211.3
[M+Na-2H]- 443.24287 213.1
[M]+ 422.26765 208.1
[M]- 422.26875 208.1
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.