PubChemLite - Ono-7475 (C32H26N4O6)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CN=C(C=C3)NC(=O)C4=CC5=C(CCCC5=O)N(C4=O)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O6/c1-40-28-16-21-24(17-29(28)41-2)33-14-13-27(21)42-20-11-12-30(34-18-20)35-31(38)23-15-22-25(9-6-10-26(22)37)36(32(23)39)19-7-4-3-5-8-19/h3-5,7-8,11-18H,6,9-10H2,1-2H3,(H,34,35,38)

InChIKey

WHMMKPWGWNYYFE-UHFFFAOYSA-N

Compound name

N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-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]+	563.19252	236.9
[M+Na]+	585.17446	242.5
[M-H]-	561.17796	246.5
[M+NH4]+	580.21906	236.5
[M+K]+	601.14840	236.7
[M+H-H2O]+	545.18250	220.3
[M+HCOO]-	607.18344	249.7
[M+CH3COO]-	621.19909	241.6
[M+Na-2H]-	583.15991	238.5
[M]+	562.18469	239.2
[M]-	562.18579	239.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.19252

236.9

[M+Na]+

585.17446

242.5

[M-H]-

561.17796

246.5

[M+NH4]+

580.21906

236.5

[M+K]+

601.14840

236.7

[M+H-H2O]+

545.18250

220.3

[M+HCOO]-

607.18344

249.7

[M+CH3COO]-

621.19909

241.6

[M+Na-2H]-

583.15991

238.5

[M]+

562.18469

239.2

[M]-

562.18579

239.2

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

Ono-7475

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe