CID 515672

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

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCN6CCCCC6

InChI

InChI=1S/C32H36N2O2/c35-30(14-20-33-16-3-1-4-17-33)23-10-11-24-26-8-7-9-27-25(12-13-28(32(26)27)29(24)22-23)31(36)15-21-34-18-5-2-6-19-34/h7-13,22H,1-6,14-21H2

InChIKey

OWWKFHWZKCSWNA-UHFFFAOYSA-N

Compound name

3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)fluoranthen-8-yl]propan-1-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 4
Patents: 480.27768 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	481.28496	220.2
[M+Na]+	503.26690	220.0
[M-H]-	479.27040	225.5
[M+NH4]+	498.31150	227.8
[M+K]+	519.24084	211.9
[M+H-H2O]+	463.27494	206.8
[M+HCOO]-	525.27588	226.2
[M+CH3COO]-	539.29153	223.9
[M+Na-2H]-	501.25235	215.4
[M]+	480.27713	214.5
[M]-	480.27823	214.5

Literature stripe

Patent stripe