PubChemLite - 1,2,5,8-tetrakis(2-(diethylamino)ethoxy)-9,10-anthracenedione tetrahydrochloride (C38H60N4O6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCOC1=C2C(=C(C=C1)OCCN(CC)CC)C(=O)C3=C(C2=O)C=CC(=C3OCCN(CC)CC)OCCN(CC)CC

InChI

InChI=1S/C38H60N4O6/c1-9-39(10-2)21-25-45-30-19-20-31(46-26-22-40(11-3)12-4)35-34(30)36(43)29-17-18-32(47-27-23-41(13-5)14-6)38(33(29)37(35)44)48-28-24-42(15-7)16-8/h17-20H,9-16,21-28H2,1-8H3

InChIKey

PFJSLQSPEXNJJS-UHFFFAOYSA-N

Compound name

1,2,5,8-tetrakis[2-(diethylamino)ethoxy]anthracene-9,10-dione

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]+	669.45858	274.6
[M+Na]+	691.44052	272.6
[M-H]-	667.44402	281.2
[M+NH4]+	686.48512	277.4
[M+K]+	707.41446	273.3
[M+H-H2O]+	651.44856	261.4
[M+HCOO]-	713.44950	293.4
[M+CH3COO]-	727.46515	303.1
[M+Na-2H]-	689.42597	268.1
[M]+	668.45075	291.3
[M]-	668.45185	291.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

669.45858

274.6

[M+Na]+

691.44052

272.6

[M-H]-

667.44402

281.2

[M+NH4]+

686.48512

277.4

[M+K]+

707.41446

273.3

[M+H-H2O]+

651.44856

261.4

[M+HCOO]-

713.44950

293.4

[M+CH3COO]-

727.46515

303.1

[M+Na-2H]-

689.42597

268.1

[M]+

668.45075

291.3

[M]-

668.45185

291.3

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

1,2,5,8-tetrakis(2-(diethylamino)ethoxy)-9,10-anthracenedione tetrahydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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