CID 504438

Schembl10327459

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CCCOC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C22H28N4O3/c1-3-13-28-22-23-19-6-5-18(15-20(19)29-22)27-14-10-17-8-11-26(12-9-17)21-7-4-16(2)24-25-21/h4-7,15,17H,3,8-14H2,1-2H3
InChIKey
IPWRHMWFOBHVPB-UHFFFAOYSA-N
Compound name
6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-propoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.21616 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22344 198.0
[M+Na]+ 419.20538 204.8
[M-H]- 395.20888 203.3
[M+NH4]+ 414.24998 204.6
[M+K]+ 435.17932 200.1
[M+H-H2O]+ 379.21342 185.2
[M+HCOO]- 441.21436 212.4
[M+CH3COO]- 455.23001 206.0
[M+Na-2H]- 417.19083 199.1
[M]+ 396.21561 201.7
[M]- 396.21671 201.7
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