CID 169450706

Wd-890

Structural Information

Molecular Formula
C22H24N8O3
SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)[C@H]4CC45CC5
InChI
InChI=1S/C22H24N8O3/c1-23-21(32)17-15(9-16(27-28-17)26-20(31)13-10-22(13)7-8-22)25-14-6-4-5-12(18(14)33-3)19-24-11-30(2)29-19/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,23,32)(H2,25,26,27,31)/t13-/m1/s1/i1D3
InChIKey
QQXVWTLPOIVDFQ-JJMJVRKHSA-N
Compound name
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[(2S)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.21597 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22325 224.8
[M+Na]+ 474.20519 231.1
[M-H]- 450.20869 232.4
[M+NH4]+ 469.24979 220.6
[M+K]+ 490.17913 224.2
[M+H-H2O]+ 434.21323 217.0
[M+HCOO]- 496.21417 240.7
[M+CH3COO]- 510.22982 228.7
[M+Na-2H]- 472.19064 225.3
[M]+ 451.21542 230.1
[M]- 451.21652 230.1
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.