CID 513245

Schembl752165

Structural Information

Molecular Formula
C18H12FN3O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(N2)C3=NN=C(O3)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C18H12FN3O3/c19-11-7-5-10(6-8-11)9-14-21-22-18(25-14)15-17(24)16(23)12-3-1-2-4-13(12)20-15/h1-8,24H,9H2,(H,20,23)
InChIKey
FTVJUSHMEPCLFR-UHFFFAOYSA-N
Compound name
2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

337.08627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09355 176.4
[M+Na]+ 360.07549 188.6
[M-H]- 336.07899 181.7
[M+NH4]+ 355.12009 186.1
[M+K]+ 376.04943 181.8
[M+H-H2O]+ 320.08353 165.6
[M+HCOO]- 382.08447 194.1
[M+CH3COO]- 396.10012 187.2
[M+Na-2H]- 358.06094 180.8
[M]+ 337.08572 178.2
[M]- 337.08682 178.2
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

patents stripe