CID 515670

Ethanone, 1,1'-(3,9-fluoranthenediyl)bis[2-(1-piperidinyl)-

Structural Information

Molecular Formula
C30H32N2O2
SMILES
C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CN6CCCCC6
InChI
InChI=1S/C30H32N2O2/c33-28(19-31-14-3-1-4-15-31)21-10-11-22-24-8-7-9-25-23(12-13-26(30(24)25)27(22)18-21)29(34)20-32-16-5-2-6-17-32/h7-13,18H,1-6,14-17,19-20H2
InChIKey
ZPRLHZVTJPCCPY-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)fluoranthen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

452.24637 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.25365 211.6
[M+Na]+ 475.23559 212.4
[M-H]- 451.23909 217.4
[M+NH4]+ 470.28019 220.5
[M+K]+ 491.20953 204.7
[M+H-H2O]+ 435.24363 198.7
[M+HCOO]- 497.24457 218.3
[M+CH3COO]- 511.26022 216.2
[M+Na-2H]- 473.22104 207.8
[M]+ 452.24582 205.4
[M]- 452.24692 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe