PubChemLite - 69432-31-1 (C32H36N8)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=C(C=C(C=C4C)N(C)C)C)C)N(C)C

InChI

InChI=1S/C32H36N8/c1-21-17-29(39(5)6)18-22(2)31(21)37-35-27-13-9-25(10-14-27)33-34-26-11-15-28(16-12-26)36-38-32-23(3)19-30(40(7)8)20-24(32)4/h9-20H,1-8H3

InChIKey

XNPUYVOJGJELMW-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[[4-(dimethylamino)-2,6-dimethylphenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N,N,3,5-tetramethylaniline

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]+	533.31358	243.4
[M+Na]+	555.29552	248.4
[M-H]-	531.29902	265.6
[M+NH4]+	550.34012	251.4
[M+K]+	571.26946	246.8
[M+H-H2O]+	515.30356	226.9
[M+HCOO]-	577.30450	280.6
[M+CH3COO]-	591.32015	291.4
[M+Na-2H]-	553.28097	245.3
[M]+	532.30575	251.5
[M]-	532.30685	251.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.31358

243.4

[M+Na]+

555.29552

248.4

[M-H]-

531.29902

265.6

[M+NH4]+

550.34012

251.4

[M+K]+

571.26946

246.8

[M+H-H2O]+

515.30356

226.9

[M+HCOO]-

577.30450

280.6

[M+CH3COO]-

591.32015

291.4

[M+Na-2H]-

553.28097

245.3

[M]+

532.30575

251.5

[M]-

532.30685

251.5

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

69432-31-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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