CID 3066009

1-(3-piperidinopropionyl)-4-(2-piperidinophenyloacetyl)piperazine

Structural Information

Molecular Formula
C25H38N4O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(C=C2)C(CC3=CC=CC=C3)(N4CCCCC4)O
InChI
InChI=1S/C25H38N4O2/c30-24(12-17-26-13-6-2-7-14-26)27-18-20-29(21-19-27)25(31,28-15-8-3-9-16-28)22-23-10-4-1-5-11-23/h1,4-5,10-11,18,20,31H,2-3,6-9,12-17,19,21-22H2
InChIKey
HCNBSTKPPBYTEU-UHFFFAOYSA-N
Compound name
1-[4-(1-hydroxy-2-phenyl-1-piperidin-1-ylethyl)-2,3-dihydropyrazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.29947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.30675 208.1
[M+Na]+ 449.28869 204.5
[M-H]- 425.29219 209.6
[M+NH4]+ 444.33329 209.1
[M+K]+ 465.26263 198.4
[M+H-H2O]+ 409.29673 193.6
[M+HCOO]- 471.29767 210.4
[M+CH3COO]- 485.31332 223.1
[M+Na-2H]- 447.27414 205.9
[M]+ 426.29892 195.3
[M]- 426.30002 195.3
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.