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

literature stripe

Patent stripe

patents stripe