PubChemLite - Azd-5153 (C25H33N7O3)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C

InChI

InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1

InChIKey

RSMYFSPOTCDHHJ-GOSISDBHSA-N

Compound name

(3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one

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]+	480.27178	220.9
[M+Na]+	502.25372	235.1
[M+NH4]+	497.29832	224.7
[M+K]+	518.22766	229.8
[M-H]-	478.25722	224.6
[M+Na-2H]-	500.23917	226.2
[M]+	479.26395	223.8
[M]-	479.26505	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.27178

220.9

[M+Na]+

502.25372

235.1

[M+NH4]+

497.29832

224.7

[M+K]+

518.22766

229.8

[M-H]-

478.25722

224.6

[M+Na-2H]-

500.23917

226.2

[M]+

479.26395

223.8

[M]-

479.26505

223.8

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

Azd-5153

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe