CID 3078026

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

Structural Information

Molecular Formula
C30H40N2O2
SMILES
C1CCN(CC1)CC(CCC(CN2CCCCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H40N2O2/c33-29(25-13-5-1-6-14-25)27(23-31-19-9-3-10-20-31)17-18-28(24-32-21-11-4-12-22-32)30(34)26-15-7-2-8-16-26/h1-2,5-8,13-16,27-28H,3-4,9-12,17-24H2
InChIKey
QMGAUYTYMDHPOF-UHFFFAOYSA-N
Compound name
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.309 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31628 217.7
[M+Na]+ 483.29822 227.8
[M+NH4]+ 478.34282 223.7
[M+K]+ 499.27216 219.6
[M-H]- 459.30172 223.7
[M+Na-2H]- 481.28367 224.9
[M]+ 460.30845 220.6
[M]- 460.30955 220.6
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.