PubChemLite - 85409-72-9 (C34H30N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)CN=NC2=CC=C(C=C2)OC3=CC=CC=C3)N=NC4=C(C=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C34H30N4O2/c1-25-13-14-28(23-35-36-29-15-17-31(18-16-29)40-30-11-7-4-8-12-30)22-34(25)38-37-33-20-19-32(21-26(33)2)39-24-27-9-5-3-6-10-27/h3-22H,23-24H2,1-2H3

InChIKey

GMDHXFHGIKADBL-UHFFFAOYSA-N

Compound name

[4-methyl-3-[(2-methyl-4-phenylmethoxyphenyl)diazenyl]phenyl]methyl-(4-phenoxyphenyl)diazene

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]+	527.24418	234.1
[M+Na]+	549.22612	238.2
[M-H]-	525.22962	252.9
[M+NH4]+	544.27072	239.3
[M+K]+	565.20006	232.5
[M+H-H2O]+	509.23416	217.5
[M+HCOO]-	571.23510	264.3
[M+CH3COO]-	585.25075	242.0
[M+Na-2H]-	547.21157	238.2
[M]+	526.23635	238.3
[M]-	526.23745	238.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.24418

234.1

[M+Na]+

549.22612

238.2

[M-H]-

525.22962

252.9

[M+NH4]+

544.27072

239.3

[M+K]+

565.20006

232.5

[M+H-H2O]+

509.23416

217.5

[M+HCOO]-

571.23510

264.3

[M+CH3COO]-

585.25075

242.0

[M+Na-2H]-

547.21157

238.2

[M]+

526.23635

238.3

[M]-

526.23745

238.3

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

85409-72-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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