CID 504449

Schembl10327532

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CCCCC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C23H30N4O2/c1-3-4-5-23-24-20-8-7-19(16-21(20)29-23)28-15-12-18-10-13-27(14-11-18)22-9-6-17(2)25-26-22/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKey
SBCTYYAEHRFINH-UHFFFAOYSA-N
Compound name
2-butyl-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

394.23688 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 200.0
[M+Na]+ 417.22610 206.6
[M-H]- 393.22960 205.1
[M+NH4]+ 412.27070 206.8
[M+K]+ 433.20004 200.9
[M+H-H2O]+ 377.23414 187.1
[M+HCOO]- 439.23508 213.9
[M+CH3COO]- 453.25073 207.7
[M+Na-2H]- 415.21155 200.4
[M]+ 394.23633 202.6
[M]- 394.23743 202.6
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