PubChemLite - Azd0424 (C25H29ClN6O5)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=CC(=CC2=C1C(=NC=N2)NC3=C4C(=NC=C3Cl)OCO4)OCCN5CCN(CC5)C(=O)C

InChI

InChI=1S/C25H29ClN6O5/c1-15(2)37-20-11-17(34-9-8-31-4-6-32(7-5-31)16(3)33)10-19-21(20)24(29-13-28-19)30-22-18(26)12-27-25-23(22)35-14-36-25/h10-13,15H,4-9,14H2,1-3H3,(H,27,28,29,30)

InChIKey

MVWATCATLSSVBH-UHFFFAOYSA-N

Compound name

1-[4-[2-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-5-propan-2-yloxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]ethanone

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]+	529.19608	226.1
[M+Na]+	551.17802	239.1
[M+NH4]+	546.22262	229.9
[M+K]+	567.15196	235.5
[M-H]-	527.18152	231.5
[M+Na-2H]-	549.16347	228.1
[M]+	528.18825	229.5
[M]-	528.18935	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.19608

226.1

[M+Na]+

551.17802

239.1

[M+NH4]+

546.22262

229.9

[M+K]+

567.15196

235.5

[M-H]-

527.18152

231.5

[M+Na-2H]-

549.16347

228.1

[M]+

528.18825

229.5

[M]-

528.18935

229.5

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

Azd0424

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe