CID 478770

Chembl83476

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CCN1C=C2C(=NOC2=O)C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C17H13N3O2/c1-2-20-10-14-16(19-22-17(14)21)13-4-3-12(9-15(13)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3
InChIKey
NLILCNIUGUEEIH-UHFFFAOYSA-N
Compound name
5-ethyl-7-pyridin-4-yl-[1,2]oxazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 166.5
[M+Na]+ 314.08999 179.5
[M-H]- 290.09349 173.1
[M+NH4]+ 309.13459 180.7
[M+K]+ 330.06393 174.2
[M+H-H2O]+ 274.09803 156.8
[M+HCOO]- 336.09897 187.0
[M+CH3COO]- 350.11462 179.2
[M+Na-2H]- 312.07544 174.0
[M]+ 291.10022 171.9
[M]- 291.10132 171.9
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.