CID 50832581

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(pyrrolidin-1-yl)quinoline

Structural Information

Molecular Formula
C22H20N4O
SMILES
CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC(=NC4=CC=CC=C43)N5CCCC5
InChI
InChI=1S/C22H20N4O/c1-15-7-6-8-16(13-15)21-24-22(27-25-21)18-14-20(26-11-4-5-12-26)23-19-10-3-2-9-17(18)19/h2-3,6-10,13-14H,4-5,11-12H2,1H3
InChIKey
MTMBPRJTBXKZKR-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)-5-(2-pyrrolidin-1-ylquinolin-4-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1637 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 184.6
[M+Na]+ 379.15292 194.1
[M-H]- 355.15642 194.5
[M+NH4]+ 374.19752 194.6
[M+K]+ 395.12686 187.8
[M+H-H2O]+ 339.16096 172.9
[M+HCOO]- 401.16190 202.4
[M+CH3COO]- 415.17755 194.9
[M+Na-2H]- 377.13837 185.3
[M]+ 356.16315 185.5
[M]- 356.16425 185.5
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.