CID 5278486

Chembl195260

Structural Information

Molecular Formula
C25H31N5O3
SMILES
CCCC1=NC(=NO1)C2=CC=C(C=C2)OCCC(C)CCN3CCN(C3=O)C4=CC=NC=C4
InChI
InChI=1S/C25H31N5O3/c1-3-4-23-27-24(28-33-23)20-5-7-22(8-6-20)32-18-12-19(2)11-15-29-16-17-30(25(29)31)21-9-13-26-14-10-21/h5-10,13-14,19H,3-4,11-12,15-18H2,1-2H3
InChIKey
VDBVFMJIJGZTGE-UHFFFAOYSA-N
Compound name
1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.24268 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24996 209.7
[M+Na]+ 472.23190 214.6
[M-H]- 448.23540 216.4
[M+NH4]+ 467.27650 213.1
[M+K]+ 488.20584 209.8
[M+H-H2O]+ 432.23994 196.6
[M+HCOO]- 494.24088 223.5
[M+CH3COO]- 508.25653 216.4
[M+Na-2H]- 470.21735 204.8
[M]+ 449.24213 213.2
[M]- 449.24323 213.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.