CID 504450

Schembl10327376

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCCC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C22H28N4O2/c1-3-4-22-23-19-7-6-18(15-20(19)28-22)27-14-11-17-9-12-26(13-10-17)21-8-5-16(2)24-25-21/h5-8,15,17H,3-4,9-14H2,1-2H3
InChIKey
UZVRGBRMZJDVBA-UHFFFAOYSA-N
Compound name
6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-propyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.22122 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 195.7
[M+Na]+ 403.21044 202.7
[M-H]- 379.21394 200.9
[M+NH4]+ 398.25504 203.0
[M+K]+ 419.18438 197.3
[M+H-H2O]+ 363.21848 183.0
[M+HCOO]- 425.21942 209.9
[M+CH3COO]- 439.23507 203.9
[M+Na-2H]- 401.19589 196.6
[M]+ 380.22067 198.0
[M]- 380.22177 198.0
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