PubChemLite - 192463-88-0 (C35H24Cl2N2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)Cl)O)O)C(=O)NC6=CC=C(C=C6)Cl

InChI

InChI=1S/C35H24Cl2N2O4/c36-22-9-13-24(14-10-22)38-34(42)30-17-20-5-1-3-7-26(20)28(32(30)40)19-29-27-8-4-2-6-21(27)18-31(33(29)41)35(43)39-25-15-11-23(37)12-16-25/h1-18,40-41H,19H2,(H,38,42)(H,39,43)

InChIKey

PUJQFYHBQJGONX-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-4-[[3-[(4-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-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]+	607.11858	240.5
[M+Na]+	629.10052	247.9
[M-H]-	605.10402	251.2
[M+NH4]+	624.14512	243.7
[M+K]+	645.07446	240.1
[M+H-H2O]+	589.10856	229.1
[M+HCOO]-	651.10950	248.8
[M+CH3COO]-	665.12515	245.8
[M+Na-2H]-	627.08597	241.2
[M]+	606.11075	246.1
[M]-	606.11185	246.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.11858

240.5

[M+Na]+

629.10052

247.9

[M-H]-

605.10402

251.2

[M+NH4]+

624.14512

243.7

[M+K]+

645.07446

240.1

[M+H-H2O]+

589.10856

229.1

[M+HCOO]-

651.10950

248.8

[M+CH3COO]-

665.12515

245.8

[M+Na-2H]-

627.08597

241.2

[M]+

606.11075

246.1

[M]-

606.11185

246.1

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

192463-88-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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