CID 504431

Schembl10327522

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
InChI
InChI=1S/C21H26N4O2/c1-3-21-22-18-6-5-17(14-19(18)27-21)26-13-10-16-8-11-25(12-9-16)20-7-4-15(2)23-24-20/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey
FQRDYHAKTJKADE-UHFFFAOYSA-N
Compound name
2-ethyl-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

3
Patents

366.20557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 191.3
[M+Na]+ 389.19479 198.8
[M-H]- 365.19829 196.8
[M+NH4]+ 384.23939 199.3
[M+K]+ 405.16873 193.6
[M+H-H2O]+ 349.20283 178.8
[M+HCOO]- 411.20377 205.9
[M+CH3COO]- 425.21942 199.9
[M+Na-2H]- 387.18024 192.8
[M]+ 366.20502 193.3
[M]- 366.20612 193.3
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