CID 515679

1-butanone, 1,1'-(3,9-fluoranthenediyl)bis[4-(4-phenyl-1-piperidinyl)-

Structural Information

Molecular Formula
C46H48N2O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)C5=CC=CC6=C(C=CC4=C65)C(=O)CCCN7CCC(CC7)C8=CC=CC=C8
InChI
InChI=1S/C46H48N2O2/c49-44(16-8-26-47-28-22-35(23-29-47)33-10-3-1-4-11-33)37-18-19-38-40-14-7-15-41-39(20-21-42(46(40)41)43(38)32-37)45(50)17-9-27-48-30-24-36(25-31-48)34-12-5-2-6-13-34/h1-7,10-15,18-21,32,35-36H,8-9,16-17,22-31H2
InChIKey
NFQUFZLRTJHSGS-UHFFFAOYSA-N
Compound name
4-(4-phenylpiperidin-1-yl)-1-[4-[4-(4-phenylpiperidin-1-yl)butanoyl]fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

660.3716 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.37888 263.8
[M+Na]+ 683.36082 260.3
[M-H]- 659.36432 272.9
[M+NH4]+ 678.40542 262.2
[M+K]+ 699.33476 250.0
[M+H-H2O]+ 643.36886 245.7
[M+HCOO]- 705.36980 266.2
[M+CH3COO]- 719.38545 262.9
[M+Na-2H]- 681.34627 254.1
[M]+ 660.37105 256.5
[M]- 660.37215 256.5
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.