PubChemLite - 73384-84-6 (C33H28N4O5)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

InChI

InChI=1S/C33H28N4O5/c1-3-42-29-16-10-9-15-26(29)35-33(40)25-19-21-11-7-8-14-24(21)30(31(25)38)37-36-27-20-22(17-18-28(27)41-2)32(39)34-23-12-5-4-6-13-23/h4-20,38H,3H2,1-2H3,(H,34,39)(H,35,40)

InChIKey

BKPRDQNKYYEFCK-UHFFFAOYSA-N

Compound name

N-(2-ethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]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]+	561.21328	234.4
[M+Na]+	583.19522	237.2
[M-H]-	559.19872	248.1
[M+NH4]+	578.23982	237.4
[M+K]+	599.16916	233.6
[M+H-H2O]+	543.20326	220.0
[M+HCOO]-	605.20420	258.1
[M+CH3COO]-	619.21985	266.1
[M+Na-2H]-	581.18067	237.3
[M]+	560.20545	237.5
[M]-	560.20655	237.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.21328

234.4

[M+Na]+

583.19522

237.2

[M-H]-

559.19872

248.1

[M+NH4]+

578.23982

237.4

[M+K]+

599.16916

233.6

[M+H-H2O]+

543.20326

220.0

[M+HCOO]-

605.20420

258.1

[M+CH3COO]-

619.21985

266.1

[M+Na-2H]-

581.18067

237.3

[M]+

560.20545

237.5

[M]-

560.20655

237.5

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

73384-84-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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