CID 3066383

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

Structural Information

Molecular Formula
C18H36N4O2
SMILES
CC(C)NCC(CN1CCN(CC1)C(=O)CCN2CCCCC2)O
InChI
InChI=1S/C18H36N4O2/c1-16(2)19-14-17(23)15-21-10-12-22(13-11-21)18(24)6-9-20-7-4-3-5-8-20/h16-17,19,23H,3-15H2,1-2H3
InChIKey
FUUOJKXHJNLWPX-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propan-2-ylamino)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2838 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.29108 188.6
[M+Na]+ 363.27302 186.3
[M-H]- 339.27652 186.6
[M+NH4]+ 358.31762 195.8
[M+K]+ 379.24696 183.5
[M+H-H2O]+ 323.28106 177.9
[M+HCOO]- 385.28200 196.0
[M+CH3COO]- 399.29765 213.2
[M+Na-2H]- 361.25847 184.6
[M]+ 340.28325 180.1
[M]- 340.28435 180.1
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.