PubChemLite - Gsk269962a (C29H30N8O5)

Structural Information

Molecular Formula

SMILES

CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChI

InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)

InChIKey

YOVNFNXUCOWYSG-UHFFFAOYSA-N

Compound name

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

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]+	571.24118	233.6
[M+Na]+	593.22312	247.2
[M+NH4]+	588.26772	236.0
[M+K]+	609.19706	246.0
[M-H]-	569.22662	242.5
[M+Na-2H]-	591.20857	240.3
[M]+	570.23335	237.8
[M]-	570.23445	237.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.24118

233.6

[M+Na]+

593.22312

247.2

[M+NH4]+

588.26772

236.0

[M+K]+

609.19706

246.0

[M-H]-

569.22662

242.5

[M+Na-2H]-

591.20857

240.3

[M]+

570.23335

237.8

[M]-

570.23445

237.8

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

Gsk269962a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe