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 198.9
[M+Na]+ 432.16424 204.2
[M-H]- 408.16774 207.4
[M+NH4]+ 427.20884 201.6
[M+K]+ 448.13818 201.5
[M+H-H2O]+ 392.17228 185.9
[M+HCOO]- 454.17322 213.3
[M+CH3COO]- 468.18887 206.6
[M+Na-2H]- 430.14969 199.2
[M]+ 409.17447 199.7
[M]- 409.17557 199.7
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

patents stripe