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 213.7
[M+Na]+ 449.21786 219.7
[M-H]- 425.22136 221.2
[M+NH4]+ 444.26246 214.0
[M+K]+ 465.19180 212.5
[M+H-H2O]+ 409.22590 201.6
[M+HCOO]- 471.22684 231.4
[M+CH3COO]- 485.24249 235.2
[M+Na-2H]- 447.20331 216.1
[M]+ 426.22809 218.7
[M]- 426.22919 218.7
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.