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 203.0
[M+Na]+ 445.25742 200.1
[M-H]- 421.26092 208.0
[M+NH4]+ 440.30202 205.9
[M+K]+ 461.23136 195.2
[M+H-H2O]+ 405.26546 188.8
[M+HCOO]- 467.26640 211.8
[M+CH3COO]- 481.28205 206.7
[M+Na-2H]- 443.24287 201.1
[M]+ 422.26765 193.0
[M]- 422.26875 193.0
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.