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]+ 292.108046 166.5
[M+Na]+ 314.089988 179.5
[M-H]- 290.093494 173.1
[M+NH4]+ 309.134593 180.7
[M+K]+ 330.063928 174.2
[M+H-H2O]+ 274.098030 156.8
[M+HCOO]- 336.098971 187.0
[M+CH3COO]- 350.114621 179.2
[M+Na-2H]- 312.075436 174.0
[M]+ 291.10022142 171.9
[M]- 291.10131858 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.