CID 146249

Bpat-143 dihydriodide

Structural Information

Molecular Formula
C28H52N4O2
SMILES
CCCCCCN1CCCC(C1)C(=O)N2CCN(CC2)C(=O)C3CCCN(C3)CCCCCC
InChI
InChI=1S/C28H52N4O2/c1-3-5-7-9-15-29-17-11-13-25(23-29)27(33)31-19-21-32(22-20-31)28(34)26-14-12-18-30(24-26)16-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey
PENPGXZRBZXSOX-UHFFFAOYSA-N
Compound name
[4-(1-hexylpiperidine-3-carbonyl)piperazin-1-yl]-(1-hexylpiperidin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

476.40903 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.41631 228.0
[M+Na]+ 499.39825 234.2
[M+NH4]+ 494.44285 231.5
[M+K]+ 515.37219 226.9
[M-H]- 475.40175 229.5
[M+Na-2H]- 497.38370 227.8
[M]+ 476.40848 228.7
[M]- 476.40958 228.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.