CID 515671

2-(4-methyl-1-piperidyl)-1-[4-[2-(4-methyl-1-piperidyl)acetyl]fluoranthen-8-yl]ethanone

Structural Information

Molecular Formula
C32H36N2O2
SMILES
CC1CCN(CC1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CN6CCC(CC6)C
InChI
InChI=1S/C32H36N2O2/c1-21-10-14-33(15-11-21)19-30(35)23-6-7-24-26-4-3-5-27-25(8-9-28(32(26)27)29(24)18-23)31(36)20-34-16-12-22(2)13-17-34/h3-9,18,21-22H,10-17,19-20H2,1-2H3
InChIKey
GONVMHRIFNCLCL-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)-1-[4-[2-(4-methylpiperidin-1-yl)acetyl]fluoranthen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.27768 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.28496 222.5
[M+Na]+ 503.26690 224.0
[M-H]- 479.27040 228.5
[M+NH4]+ 498.31150 230.7
[M+K]+ 519.24084 216.1
[M+H-H2O]+ 463.27494 209.6
[M+HCOO]- 525.27588 228.3
[M+CH3COO]- 539.29153 226.7
[M+Na-2H]- 501.25235 216.1
[M]+ 480.27713 217.6
[M]- 480.27823 217.6
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.