CID 3066375

1-(3-piperidinopropionyl)-4-(2-hydroxy-3-piperidinopropyl)piperazine

Structural Information

Molecular Formula
C20H38N4O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)CC(CN3CCCCC3)O
InChI
InChI=1S/C20H38N4O2/c25-19(17-22-10-5-2-6-11-22)18-23-13-15-24(16-14-23)20(26)7-12-21-8-3-1-4-9-21/h19,25H,1-18H2
InChIKey
PLVIQWXBJWUHFM-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-piperidin-1-ylpropyl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.29947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.30675 196.1
[M+Na]+ 389.28869 192.0
[M-H]- 365.29219 194.5
[M+NH4]+ 384.33329 200.2
[M+K]+ 405.26263 187.9
[M+H-H2O]+ 349.29673 183.0
[M+HCOO]- 411.29767 198.2
[M+CH3COO]- 425.31332 213.2
[M+Na-2H]- 387.27414 190.8
[M]+ 366.29892 183.0
[M]- 366.30002 183.0
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.