PubChemLite - Lucitanib (C26H25N3O4)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC

InChI

InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)

InChIKey

CUDVHEFYRIWYQD-UHFFFAOYSA-N

Compound name

6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-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]+	444.19178	205.8
[M+Na]+	466.17372	215.2
[M-H]-	442.17722	215.7
[M+NH4]+	461.21832	211.9
[M+K]+	482.14766	209.8
[M+H-H2O]+	426.18176	195.7
[M+HCOO]-	488.18270	226.5
[M+CH3COO]-	502.19835	214.5
[M+Na-2H]-	464.15917	211.4
[M]+	443.18395	213.2
[M]-	443.18505	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.19178

205.8

[M+Na]+

466.17372

215.2

[M-H]-

442.17722

215.7

[M+NH4]+

461.21832

211.9

[M+K]+

482.14766

209.8

[M+H-H2O]+

426.18176

195.7

[M+HCOO]-

488.18270

226.5

[M+CH3COO]-

502.19835

214.5

[M+Na-2H]-

464.15917

211.4

[M]+

443.18395

213.2

[M]-

443.18505

213.2

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

Lucitanib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe