CID 5278485

Chembl195749

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CCC1=NC(=NO1)C2=CC=C(C=C2)OCCC(C)CCN3CCN(C3=O)C4=CC=NC=C4
InChI
InChI=1S/C24H29N5O3/c1-3-22-26-23(27-32-22)19-4-6-21(7-5-19)31-17-11-18(2)10-14-28-15-16-29(24(28)30)20-8-12-25-13-9-20/h4-9,12-13,18H,3,10-11,14-17H2,1-2H3
InChIKey
JQPXDPNYNDNAMJ-UHFFFAOYSA-N
Compound name
1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

435.22705 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23433 205.6
[M+Na]+ 458.21627 211.0
[M-H]- 434.21977 212.4
[M+NH4]+ 453.26087 209.6
[M+K]+ 474.19021 206.3
[M+H-H2O]+ 418.22431 192.7
[M+HCOO]- 480.22525 219.7
[M+CH3COO]- 494.24090 212.7
[M+Na-2H]- 456.20172 201.1
[M]+ 435.22650 208.8
[M]- 435.22760 208.8
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

No patent data available for this compound.