CID 3078030

1,6-bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride

Structural Information

Molecular Formula
C34H48N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCC)CN4CCCCC4
InChI
InChI=1S/C34H48N2O4/c1-3-39-31-17-13-27(14-18-31)33(37)29(25-35-21-7-5-8-22-35)11-12-30(26-36-23-9-6-10-24-36)34(38)28-15-19-32(20-16-28)40-4-2/h13-20,29-30H,3-12,21-26H2,1-2H3
InChIKey
YVTKTAFHZHUQOU-UHFFFAOYSA-N
Compound name
1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.3614 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.36868 238.8
[M+Na]+ 571.35062 247.7
[M+NH4]+ 566.39522 242.8
[M+K]+ 587.32456 240.2
[M-H]- 547.35412 243.7
[M+Na-2H]- 569.33607 243.7
[M]+ 548.36085 241.1
[M]- 548.36195 241.1
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.