CID 134588268

Alogabat

Structural Information

Molecular Formula
C21H23N5O4
SMILES
CC1=NC=C(C=C1)C2=NOC(=C2COC3=NN=C(C=C3)C(=O)NC4CCOCC4)C
InChI
InChI=1S/C21H23N5O4/c1-13-3-4-15(11-22-13)20-17(14(2)30-26-20)12-29-19-6-5-18(24-25-19)21(27)23-16-7-9-28-10-8-16/h3-6,11,16H,7-10,12H2,1-2H3,(H,23,27)
InChIKey
ACZCJTHHWMBFKC-UHFFFAOYSA-N
Compound name
6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

409.17502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18230 198.0
[M+Na]+ 432.16424 211.4
[M+NH4]+ 427.20884 202.4
[M+K]+ 448.13818 208.1
[M-H]- 408.16774 205.4
[M+Na-2H]- 430.14969 204.9
[M]+ 409.17447 201.8
[M]- 409.17557 201.8
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