CID 504437

Schembl13714543

Structural Information

Molecular Formula
C19H24N4O3S
SMILES
CCOC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=C(S4)C
InChI
InChI=1S/C19H24N4O3S/c1-3-24-19-20-16-5-4-15(12-17(16)26-19)25-11-8-14-6-9-23(10-7-14)18-22-21-13(2)27-18/h4-5,12,14H,3,6-11H2,1-2H3
InChIKey
NCHWWAGHJLYPMA-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.15692 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16420 189.8
[M+Na]+ 411.14614 199.0
[M-H]- 387.14964 196.8
[M+NH4]+ 406.19074 200.2
[M+K]+ 427.12008 195.4
[M+H-H2O]+ 371.15418 180.9
[M+HCOO]- 433.15512 202.5
[M+CH3COO]- 447.17077 199.7
[M+Na-2H]- 409.13159 187.4
[M]+ 388.15637 196.6
[M]- 388.15747 196.6
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