CID 138560421

Tyk2-in-14

Structural Information

Molecular Formula
C22H21N9O2
SMILES
CC1=CC(=NC=C1OC2=NC3=C(C(=C2)NC4=NN=C(C=C4)N5CCOCC5)N=CN3C)C#N
InChI
InChI=1S/C22H21N9O2/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28)
InChIKey
GXELZXDURVDKHP-UHFFFAOYSA-N
Compound name
4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

443.18182 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18910 211.3
[M+Na]+ 466.17104 226.5
[M+NH4]+ 461.21564 212.4
[M+K]+ 482.14498 218.0
[M-H]- 442.17454 209.7
[M+Na-2H]- 464.15649 215.9
[M]+ 443.18127 212.3
[M]- 443.18237 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe