PubChemLite - 6706-75-8 (C43H35ClN4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1N=NC2=C(C=CC3=CC=CC=C32)O)C)C(C4=CC=CC=C4Cl)C5=C(C=C(C(=C5)C)N=NC6=C(C=CC7=CC=CC=C76)O)C

InChI

InChI=1S/C43H35ClN4O2/c1-25-23-37(45-47-42-31-13-7-5-11-29(31)17-19-39(42)49)27(3)21-34(25)41(33-15-9-10-16-36(33)44)35-22-28(4)38(24-26(35)2)46-48-43-32-14-8-6-12-30(32)18-20-40(43)50/h5-24,41,49-50H,1-4H3

InChIKey

RJSNDQUKUMPPJN-UHFFFAOYSA-N

Compound name

1-[[4-[(2-chlorophenyl)-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol

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]+	675.25218	274.3
[M+Na]+	697.23412	281.4
[M-H]-	673.23762	292.0
[M+NH4]+	692.27872	275.6
[M+K]+	713.20806	274.0
[M+H-H2O]+	657.24216	257.2
[M+HCOO]-	719.24310	292.3
[M+CH3COO]-	733.25875	279.1
[M+Na-2H]-	695.21957	274.0
[M]+	674.24435	281.1
[M]-	674.24545	281.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

675.25218

274.3

[M+Na]+

697.23412

281.4

[M-H]-

673.23762

292.0

[M+NH4]+

692.27872

275.6

[M+K]+

713.20806

274.0

[M+H-H2O]+

657.24216

257.2

[M+HCOO]-

719.24310

292.3

[M+CH3COO]-

733.25875

279.1

[M+Na-2H]-

695.21957

274.0

[M]+

674.24435

281.1

[M]-

674.24545

281.1

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

6706-75-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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