CID 478711

Chembl40782

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C4=NCCO4
InChI
InChI=1S/C19H17N3O2/c1-2-22-12-16(19-21-9-10-24-19)18(23)15-4-3-14(11-17(15)22)13-5-7-20-8-6-13/h3-8,11-12H,2,9-10H2,1H3
InChIKey
NBPVAFWDZUQPAS-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethyl-7-pyridin-4-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.13208 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 175.8
[M+Na]+ 342.12130 185.7
[M-H]- 318.12480 183.6
[M+NH4]+ 337.16590 187.2
[M+K]+ 358.09524 180.4
[M+H-H2O]+ 302.12934 164.9
[M+HCOO]- 364.13028 194.3
[M+CH3COO]- 378.14593 186.9
[M+Na-2H]- 340.10675 179.6
[M]+ 319.13153 177.6
[M]- 319.13263 177.6
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.