PubChemLite - 5-(diethylamino)-1-[4-[5-(diethylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one (C34H44N2O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCCC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CCCCN(CC)CC

InChI

InChI=1S/C34H44N2O2/c1-5-35(6-2)22-11-9-16-32(37)25-18-19-26-28-14-13-15-29-27(20-21-30(34(28)29)31(26)24-25)33(38)17-10-12-23-36(7-3)8-4/h13-15,18-21,24H,5-12,16-17,22-23H2,1-4H3

InChIKey

VBEZNPFKVDUYBJ-UHFFFAOYSA-N

Compound name

5-(diethylamino)-1-[4-[5-(diethylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one

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]+	513.34758	240.0
[M+Na]+	535.32952	241.0
[M-H]-	511.33302	245.4
[M+NH4]+	530.37412	251.4
[M+K]+	551.30346	235.8
[M+H-H2O]+	495.33756	229.6
[M+HCOO]-	557.33850	256.9
[M+CH3COO]-	571.35415	263.8
[M+Na-2H]-	533.31497	235.5
[M]+	512.33975	249.1
[M]-	512.34085	249.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.34758

240.0

[M+Na]+

535.32952

241.0

[M-H]-

511.33302

245.4

[M+NH4]+

530.37412

251.4

[M+K]+

551.30346

235.8

[M+H-H2O]+

495.33756

229.6

[M+HCOO]-

557.33850

256.9

[M+CH3COO]-

571.35415

263.8

[M+Na-2H]-

533.31497

235.5

[M]+

512.33975

249.1

[M]-

512.34085

249.1

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

5-(diethylamino)-1-[4-[5-(diethylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe