PubChemLite - 2-naphthalenecarboxamide, n,n'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy- (C36H28N2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O)C)NC(=O)C5=CC6=CC=CC=C6C=C5O

InChI

InChI=1S/C36H28N2O4/c1-21-15-27(11-13-31(21)37-35(41)29-17-23-7-3-5-9-25(23)19-33(29)39)28-12-14-32(22(2)16-28)38-36(42)30-18-24-8-4-6-10-26(24)20-34(30)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)

InChIKey

DXHOYLITXFGHBW-UHFFFAOYSA-N

Compound name

3-hydroxy-N-[4-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-methylphenyl]-2-methylphenyl]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]+	553.21218	236.6
[M+Na]+	575.19412	241.9
[M-H]-	551.19762	248.0
[M+NH4]+	570.23872	239.8
[M+K]+	591.16806	235.2
[M+H-H2O]+	535.20216	223.1
[M+HCOO]-	597.20310	253.0
[M+CH3COO]-	611.21875	242.0
[M+Na-2H]-	573.17957	237.3
[M]+	552.20435	236.8
[M]-	552.20545	236.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.21218

236.6

[M+Na]+

575.19412

241.9

[M-H]-

551.19762

248.0

[M+NH4]+

570.23872

239.8

[M+K]+

591.16806

235.2

[M+H-H2O]+

535.20216

223.1

[M+HCOO]-

597.20310

253.0

[M+CH3COO]-

611.21875

242.0

[M+Na-2H]-

573.17957

237.3

[M]+

552.20435

236.8

[M]-

552.20545

236.8

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'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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