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 228.9
[M+Na]+ 499.39825 224.0
[M-H]- 475.40175 227.9
[M+NH4]+ 494.44285 229.8
[M+K]+ 515.37219 218.4
[M+H-H2O]+ 459.40629 214.8
[M+HCOO]- 521.40723 230.0
[M+CH3COO]- 535.42288 239.7
[M+Na-2H]- 497.38370 218.6
[M]+ 476.40848 220.3
[M]- 476.40958 220.3
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.