PubChemLite - Cediranib (C25H27FN4O3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5

InChI

InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3

InChIKey

XXJWYDDUDKYVKI-UHFFFAOYSA-N

Compound name

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

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]+	451.21401	212.2
[M+Na]+	473.19595	225.8
[M+NH4]+	468.24055	217.7
[M+K]+	489.16989	221.3
[M-H]-	449.19945	214.7
[M+Na-2H]-	471.18140	216.7
[M]+	450.20618	214.7
[M]-	450.20728	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.21401

212.2

[M+Na]+

473.19595

225.8

[M+NH4]+

468.24055

217.7

[M+K]+

489.16989

221.3

[M-H]-

449.19945

214.7

[M+Na-2H]-

471.18140

216.7

[M]+

450.20618

214.7

[M]-

450.20728

214.7

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

Cediranib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe