PubChemLite - 2-naphthalenecarboxamide, n,n'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy- (C36H28N2O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O)OC)NC(=O)C5=CC6=CC=CC=C6C=C5O

InChI

InChI=1S/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)

InChIKey

AXUHYNGMYQMRRI-UHFFFAOYSA-N

Compound name

3-hydroxy-N-[4-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]naphthalene-2-carboxamide

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]+	585.20204	240.9
[M+Na]+	607.18398	245.4
[M-H]-	583.18748	252.3
[M+NH4]+	602.22858	242.5
[M+K]+	623.15792	240.9
[M+H-H2O]+	567.19202	226.9
[M+HCOO]-	629.19296	257.5
[M+CH3COO]-	643.20861	246.0
[M+Na-2H]-	605.16943	242.3
[M]+	584.19421	243.7
[M]-	584.19531	243.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.20204

240.9

[M+Na]+

607.18398

245.4

[M-H]-

583.18748

252.3

[M+NH4]+

602.22858

242.5

[M+K]+

623.15792

240.9

[M+H-H2O]+

567.19202

226.9

[M+HCOO]-

629.19296

257.5

[M+CH3COO]-

643.20861

246.0

[M+Na-2H]-

605.16943

242.3

[M]+

584.19421

243.7

[M]-

584.19531

243.7

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

2-naphthalenecarboxamide, n,n'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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