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]+ 422.218676 201.4
[M+Na]+ 444.200618 207.3
[M-H]- 420.204124 208.5
[M+NH4]+ 439.245223 206.0
[M+K]+ 460.174558 202.8
[M+H-H2O]+ 404.208660 188.7
[M+HCOO]- 466.209601 215.9
[M+CH3COO]- 480.225251 209.0
[M+Na-2H]- 442.186066 197.4
[M]+ 421.21085142 204.3
[M]- 421.21194858 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.