CID 50832336

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

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC(=NC4=CC=CC=C43)N5CCOCC5
InChI
InChI=1S/C22H20N4O2/c1-15-5-4-6-16(13-15)21-24-22(28-25-21)18-14-20(26-9-11-27-12-10-26)23-19-8-3-2-7-17(18)19/h2-8,13-14H,9-12H2,1H3
InChIKey
UGXUJENJYKEGPI-UHFFFAOYSA-N
Compound name
4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15863 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 190.7
[M+Na]+ 395.14785 199.4
[M-H]- 371.15135 200.1
[M+NH4]+ 390.19245 196.3
[M+K]+ 411.12179 194.2
[M+H-H2O]+ 355.15589 177.6
[M+HCOO]- 417.15683 205.0
[M+CH3COO]- 431.17248 199.7
[M+Na-2H]- 393.13330 193.6
[M]+ 372.15808 190.8
[M]- 372.15918 190.8
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.