CID 3066376

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

Structural Information

Molecular Formula
C15H28ClN3O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)CC(CCl)O
InChI
InChI=1S/C15H28ClN3O2/c16-12-14(20)13-18-8-10-19(11-9-18)15(21)4-7-17-5-2-1-3-6-17/h14,20H,1-13H2
InChIKey
UVAMHEDGEASBBJ-UHFFFAOYSA-N
Compound name
1-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.187 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19428 177.8
[M+Na]+ 340.17622 178.5
[M-H]- 316.17972 176.1
[M+NH4]+ 335.22082 187.2
[M+K]+ 356.15016 174.2
[M+H-H2O]+ 300.18426 168.0
[M+HCOO]- 362.18520 181.5
[M+CH3COO]- 376.20085 202.0
[M+Na-2H]- 338.16167 175.3
[M]+ 317.18645 171.4
[M]- 317.18755 171.4
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.