CID 5278484

Chembl372937

Structural Information

Molecular Formula
C23H27N5O3
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)OCCC(C)CCN3CCN(C3=O)C4=CC=NC=C4
InChI
InChI=1S/C23H27N5O3/c1-17(9-13-27-14-15-28(23(27)29)20-7-11-24-12-8-20)10-16-30-21-5-3-19(4-6-21)22-25-18(2)31-26-22/h3-8,11-12,17H,9-10,13-16H2,1-2H3
InChIKey
KFNVTEAQNRTWRK-UHFFFAOYSA-N
Compound name
1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

421.2114 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21868 201.4
[M+Na]+ 444.20062 207.3
[M-H]- 420.20412 208.5
[M+NH4]+ 439.24522 206.0
[M+K]+ 460.17456 202.8
[M+H-H2O]+ 404.20866 188.7
[M+HCOO]- 466.20960 215.9
[M+CH3COO]- 480.22525 209.0
[M+Na-2H]- 442.18607 197.4
[M]+ 421.21085 204.3
[M]- 421.21195 204.3
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.