CID 49783923

Gsk2292767

Structural Information

Molecular Formula
C24H28N6O5S
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-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

316
Patents

512.1842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.19148 219.7
[M+Na]+ 535.17342 232.7
[M+NH4]+ 530.21802 223.0
[M+K]+ 551.14736 230.5
[M-H]- 511.17692 225.8
[M+Na-2H]- 533.15887 224.1
[M]+ 512.18365 223.6
[M]- 512.18475 223.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe