PubChemLite - Piperidine, 1,1'-[3,9-fluoranthenediylbis(5,1-pentanediyl)]bis[4-propyl- (C42H60N2)

Structural Information

Molecular Formula

SMILES

CCCC1CCN(CC1)CCCCCC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)CCCCCN6CCC(CC6)CCC

InChI

InChI=1S/C42H60N2/c1-3-12-33-22-28-43(29-23-33)26-9-5-7-14-35-18-20-38-39-17-11-16-37-36(19-21-40(42(37)39)41(38)32-35)15-8-6-10-27-44-30-24-34(13-4-2)25-31-44/h11,16-21,32-34H,3-10,12-15,22-31H2,1-2H3

InChIKey

GODHVYIESCPBFN-UHFFFAOYSA-N

Compound name

4-propyl-1-[5-[4-[5-(4-propylpiperidin-1-yl)pentyl]fluoranthen-8-yl]pentyl]piperidine

Related CIDs

2D Structure

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]+	593.48293	261.4
[M+Na]+	615.46487	258.7
[M-H]-	591.46837	264.7
[M+NH4]+	610.50947	265.1
[M+K]+	631.43881	247.1
[M+H-H2O]+	575.47291	245.5
[M+HCOO]-	637.47385	264.8
[M+CH3COO]-	651.48950	261.3
[M+Na-2H]-	613.45032	250.9
[M]+	592.47510	258.6
[M]-	592.47620	258.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.48293

261.4

[M+Na]+

615.46487

258.7

[M-H]-

591.46837

264.7

[M+NH4]+

610.50947

265.1

[M+K]+

631.43881

247.1

[M+H-H2O]+

575.47291

245.5

[M+HCOO]-

637.47385

264.8

[M+CH3COO]-

651.48950

261.3

[M+Na-2H]-

613.45032

250.9

[M]+

592.47510

258.6

[M]-

592.47620

258.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Piperidine, 1,1'-[3,9-fluoranthenediylbis(5,1-pentanediyl)]bis[4-propyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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