PubChemLite - Foretinib (C34H34F2N4O6)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F

InChI

InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)

InChIKey

CXQHYVUVSFXTMY-UHFFFAOYSA-N

Compound name

1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

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]+	633.25188	251.6
[M+Na]+	655.23382	263.1
[M+NH4]+	650.27842	255.9
[M+K]+	671.20776	255.7
[M-H]-	631.23732	264.1
[M+Na-2H]-	653.21927	260.0
[M]+	632.24405	257.7
[M]-	632.24515	257.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.25188

251.6

[M+Na]+

655.23382

263.1

[M+NH4]+

650.27842

255.9

[M+K]+

671.20776

255.7

[M-H]-

631.23732

264.1

[M+Na-2H]-

653.21927

260.0

[M]+

632.24405

257.7

[M]-

632.24515

257.7

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

Foretinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe