CID 99124

33310-59-7

Structural Information

Molecular Formula
C52H73N5
SMILES
C1CCN(CC1)CCC(CCN2CCCCC2)(CN=CC(CCN3CCCCC3)(CCN4CCCCC4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
InChI
InChI=1S/C52H73N5/c1-9-31-54(32-10-1)39-27-51(28-40-55-33-11-2-12-34-55,49-25-17-21-45-19-5-7-23-47(45)49)43-53-44-52(29-41-56-35-13-3-14-36-56,30-42-57-37-15-4-16-38-57)50-26-18-22-46-20-6-8-24-48(46)50/h5-8,17-26,43H,1-4,9-16,27-42,44H2
InChIKey
GTMZNBYXEBWXPO-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butyl]-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.5866 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.59388 295.3
[M+Na]+ 790.57582 306.2
[M+NH4]+ 785.62042 300.8
[M+K]+ 806.54976 292.6
[M-H]- 766.57932 306.1
[M+Na-2H]- 788.56127 303.0
[M]+ 767.58605 300.0
[M]- 767.58715 300.0
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.