CID 504439

Schembl10327470

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC4=C(C=C3)N=C(O4)OC
InChI
InChI=1S/C20H24N4O3/c1-14-3-6-19(23-22-14)24-10-7-15(8-11-24)9-12-26-16-4-5-17-18(13-16)27-20(21-17)25-2/h3-6,13,15H,7-12H2,1-2H3
InChIKey
SJOFHUBGCOBBQY-UHFFFAOYSA-N
Compound name
2-methoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

368.18484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 189.3
[M+Na]+ 391.17406 197.0
[M-H]- 367.17756 195.0
[M+NH4]+ 386.21866 197.1
[M+K]+ 407.14800 192.7
[M+H-H2O]+ 351.18210 176.9
[M+HCOO]- 413.18304 204.4
[M+CH3COO]- 427.19869 198.2
[M+Na-2H]- 389.15951 191.5
[M]+ 368.18429 192.4
[M]- 368.18539 192.4
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