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 277.2
[M+Na]+ 790.57582 264.2
[M-H]- 766.57932 281.6
[M+NH4]+ 785.62042 264.5
[M+K]+ 806.54976 252.8
[M+H-H2O]+ 750.58386 253.6
[M+HCOO]- 812.58480 269.5
[M+CH3COO]- 826.60045 269.7
[M+Na-2H]- 788.56127 271.4
[M]+ 767.58605 259.2
[M]- 767.58715 259.2
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.