PubChemLite - Benzenamine, 4-((4-((4-((4-butylphenyl)azo)phenyl)azo)-1-naphthalenyl)azo)-n,n-diethyl- (C36H37N7)

Structural Information

Molecular Formula

SMILES

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=C(C=C5)N(CC)CC

InChI

InChI=1S/C36H37N7/c1-4-7-10-27-13-15-28(16-14-27)37-38-29-17-19-30(20-18-29)39-41-35-25-26-36(34-12-9-8-11-33(34)35)42-40-31-21-23-32(24-22-31)43(5-2)6-3/h8-9,11-26H,4-7,10H2,1-3H3

InChIKey

CVUSIAPMJUJTPQ-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline

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]+	568.31832	243.8
[M+Na]+	590.30026	246.1
[M-H]-	566.30376	263.1
[M+NH4]+	585.34486	249.6
[M+K]+	606.27420	241.4
[M+H-H2O]+	550.30830	226.3
[M+HCOO]-	612.30924	277.6
[M+CH3COO]-	626.32489	288.1
[M+Na-2H]-	588.28571	249.7
[M]+	567.31049	249.5
[M]-	567.31159	249.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.31832

243.8

[M+Na]+

590.30026

246.1

[M-H]-

566.30376

263.1

[M+NH4]+

585.34486

249.6

[M+K]+

606.27420

241.4

[M+H-H2O]+

550.30830

226.3

[M+HCOO]-

612.30924

277.6

[M+CH3COO]-

626.32489

288.1

[M+Na-2H]-

588.28571

249.7

[M]+

567.31049

249.5

[M]-

567.31159

249.5

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

Benzenamine, 4-((4-((4-((4-butylphenyl)azo)phenyl)azo)-1-naphthalenyl)azo)-n,n-diethyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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