PubChemLite - Gsk2292767 (C24H28N6O5S)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CN(C[C@@H](O1)C)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=CC(=C(N=C5)OC)NS(=O)(=O)C

InChI

InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+

InChIKey

NLUPPCTVKHDVIQ-GASCZTMLSA-N

Compound name

N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide

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]+	513.19148	222.0
[M+Na]+	535.17342	231.2
[M-H]-	511.17692	231.3
[M+NH4]+	530.21802	223.4
[M+K]+	551.14736	226.9
[M+H-H2O]+	495.18146	213.2
[M+HCOO]-	557.18240	230.4
[M+CH3COO]-	571.19805	229.1
[M+Na-2H]-	533.15887	219.6
[M]+	512.18365	228.2
[M]-	512.18475	228.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.19148

222.0

[M+Na]+

535.17342

231.2

[M-H]-

511.17692

231.3

[M+NH4]+

530.21802

223.4

[M+K]+

551.14736

226.9

[M+H-H2O]+

495.18146

213.2

[M+HCOO]-

557.18240

230.4

[M+CH3COO]-

571.19805

229.1

[M+Na-2H]-

533.15887

219.6

[M]+

512.18365

228.2

[M]-

512.18475

228.2

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

Gsk2292767

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe