CID 158715582

Envudeucitinib

Structural Information

Molecular Formula
C22H24N6O3
SMILES
[2H]C([2H])([2H])CC(=O)C1=CN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C([2H])([2H])[2H])NC(=O)C4CC4
InChI
InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)/i1D3,2D3
InChIKey
FKCATCQHVCOBCX-WFGJKAKNSA-N
Compound name
N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.22864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23592 217.3
[M+Na]+ 449.21786 229.0
[M+NH4]+ 444.26246 221.3
[M+K]+ 465.19180 226.8
[M-H]- 425.22136 226.9
[M+Na-2H]- 447.20331 225.8
[M]+ 426.22809 222.6
[M]- 426.22919 222.6
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

No patent data available for this compound.