PubChemLite - N-butyl-n-[3-[4-[3-(dibutylamino)propoxy]fluoranthen-8-yl]oxypropyl]butan-1-amine (C38H56N2O2)

Structural Information

Molecular Formula

SMILES

CCCCN(CCCC)CCCOC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OCCCN(CCCC)CCCC

InChI

InChI=1S/C38H56N2O2/c1-5-9-22-39(23-10-6-2)26-14-28-41-31-18-19-32-33-16-13-17-35-37(21-20-34(38(33)35)36(32)30-31)42-29-15-27-40(24-11-7-3)25-12-8-4/h13,16-21,30H,5-12,14-15,22-29H2,1-4H3

InChIKey

GSHCHDFWENUXHJ-UHFFFAOYSA-N

Compound name

N-butyl-N-[3-[4-[3-(dibutylamino)propoxy]fluoranthen-8-yl]oxypropyl]butan-1-amine

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]+	573.44148	259.2
[M+Na]+	595.42342	258.3
[M-H]-	571.42692	263.4
[M+NH4]+	590.46802	268.3
[M+K]+	611.39736	252.2
[M+H-H2O]+	555.43146	247.1
[M+HCOO]-	617.43240	276.1
[M+CH3COO]-	631.44805	274.5
[M+Na-2H]-	593.40887	254.6
[M]+	572.43365	271.9
[M]-	572.43475	271.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.44148

259.2

[M+Na]+

595.42342

258.3

[M-H]-

571.42692

263.4

[M+NH4]+

590.46802

268.3

[M+K]+

611.39736

252.2

[M+H-H2O]+

555.43146

247.1

[M+HCOO]-

617.43240

276.1

[M+CH3COO]-

631.44805

274.5

[M+Na-2H]-

593.40887

254.6

[M]+

572.43365

271.9

[M]-

572.43475

271.9

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

N-butyl-n-[3-[4-[3-(dibutylamino)propoxy]fluoranthen-8-yl]oxypropyl]butan-1-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe