CID 504430

Chembl194725

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC4=C(C=C3)OC(=N4)C
InChI
InChI=1S/C20H24N4O2/c1-14-3-6-20(23-22-14)24-10-7-16(8-11-24)9-12-25-17-4-5-19-18(13-17)21-15(2)26-19/h3-6,13,16H,7-12H2,1-2H3
InChIKey
YSISFFCWNVZQNJ-UHFFFAOYSA-N
Compound name
2-methyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

352.1899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 186.9
[M+Na]+ 375.17912 194.9
[M-H]- 351.18262 192.6
[M+NH4]+ 370.22372 195.5
[M+K]+ 391.15306 189.9
[M+H-H2O]+ 335.18716 174.7
[M+HCOO]- 397.18810 201.9
[M+CH3COO]- 411.20375 196.0
[M+Na-2H]- 373.16457 188.9
[M]+ 352.18935 188.6
[M]- 352.19045 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe