PubChemLite - 5-(dibutylamino)-1-[4-[5-(dibutylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one (C42H60N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C42H60N2O2/c1-5-9-26-43(27-10-6-2)30-15-13-20-40(45)33-22-23-34-36-18-17-19-37-35(24-25-38(42(36)37)39(34)32-33)41(46)21-14-16-31-44(28-11-7-3)29-12-8-4/h17-19,22-25,32H,5-16,20-21,26-31H2,1-4H3

InChIKey

ABVGMVIZPNONJW-UHFFFAOYSA-N

Compound name

5-(dibutylamino)-1-[4-[5-(dibutylamino)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]+	625.47273	275.9
[M+Na]+	647.45467	273.1
[M-H]-	623.45817	279.3
[M+NH4]+	642.49927	282.3
[M+K]+	663.42861	266.2
[M+H-H2O]+	607.46271	263.9
[M+HCOO]-	669.46365	289.6
[M+CH3COO]-	683.47930	285.8
[M+Na-2H]-	645.44012	267.1
[M]+	624.46490	287.2
[M]-	624.46600	287.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.47273

275.9

[M+Na]+

647.45467

273.1

[M-H]-

623.45817

279.3

[M+NH4]+

642.49927

282.3

[M+K]+

663.42861

266.2

[M+H-H2O]+

607.46271

263.9

[M+HCOO]-

669.46365

289.6

[M+CH3COO]-

683.47930

285.8

[M+Na-2H]-

645.44012

267.1

[M]+

624.46490

287.2

[M]-

624.46600

287.2

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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