PubChemLite - 69293-81-8 (C34H28N8)

Structural Information

Molecular Formula

SMILES

CNC1=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)NC

InChI

InChI=1S/C34H28N8/c1-35-31-19-21-33(29-9-5-3-7-27(29)31)41-39-25-15-11-23(12-16-25)37-38-24-13-17-26(18-14-24)40-42-34-22-20-32(36-2)28-8-4-6-10-30(28)34/h3-22,35-36H,1-2H3

InChIKey

JPFUMXSFWSRJQY-UHFFFAOYSA-N

Compound name

N-methyl-4-[[4-[[4-[[4-(methylamino)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]+	549.25098	227.1
[M+Na]+	571.23292	232.5
[M-H]-	547.23642	246.7
[M+NH4]+	566.27752	233.8
[M+K]+	587.20686	227.0
[M+H-H2O]+	531.24096	210.4
[M+HCOO]-	593.24190	262.4
[M+CH3COO]-	607.25755	235.6
[M+Na-2H]-	569.21837	239.4
[M]+	548.24315	231.1
[M]-	548.24425	231.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.25098

227.1

[M+Na]+

571.23292

232.5

[M-H]-

547.23642

246.7

[M+NH4]+

566.27752

233.8

[M+K]+

587.20686

227.0

[M+H-H2O]+

531.24096

210.4

[M+HCOO]-

593.24190

262.4

[M+CH3COO]-

607.25755

235.6

[M+Na-2H]-

569.21837

239.4

[M]+

548.24315

231.1

[M]-

548.24425

231.1

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

69293-81-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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