PubChemLite - 69293-82-9 (C36H32N8)

Structural Information

Molecular Formula

SMILES

CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N=NC5=CC=C(C6=CC=CC=C65)NCC

InChI

InChI=1S/C36H32N8/c1-3-37-33-21-23-35(31-11-7-5-9-29(31)33)43-41-27-17-13-25(14-18-27)39-40-26-15-19-28(20-16-26)42-44-36-24-22-34(38-4-2)30-10-6-8-12-32(30)36/h5-24,37-38H,3-4H2,1-2H3

InChIKey

NWGOPWNYMXKSEL-UHFFFAOYSA-N

Compound name

N-ethyl-4-[[4-[[4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-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]+	577.28224	234.8
[M+Na]+	599.26418	239.2
[M-H]-	575.26768	254.0
[M+NH4]+	594.30878	240.4
[M+K]+	615.23812	233.5
[M+H-H2O]+	559.27222	217.7
[M+HCOO]-	621.27316	269.4
[M+CH3COO]-	635.28881	242.5
[M+Na-2H]-	597.24963	246.2
[M]+	576.27441	239.3
[M]-	576.27551	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.28224

234.8

[M+Na]+

599.26418

239.2

[M-H]-

575.26768

254.0

[M+NH4]+

594.30878

240.4

[M+K]+

615.23812

233.5

[M+H-H2O]+

559.27222

217.7

[M+HCOO]-

621.27316

269.4

[M+CH3COO]-

635.28881

242.5

[M+Na-2H]-

597.24963

246.2

[M]+

576.27441

239.3

[M]-

576.27551

239.3

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

69293-82-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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