CID 16785824

3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H11FN2O3
SMILES
C1CC1C2=NOC3=C2C(=CC(=N3)C4=CC=C(C=C4)F)C(=O)O
InChI
InChI=1S/C16H11FN2O3/c17-10-5-3-8(4-6-10)12-7-11(16(20)21)13-14(9-1-2-9)19-22-15(13)18-12/h3-7,9H,1-2H2,(H,20,21)
InChIKey
SKYTVXWEFWNEHT-UHFFFAOYSA-N
Compound name
3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.07538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08266 165.4
[M+Na]+ 321.06460 178.2
[M-H]- 297.06810 173.2
[M+NH4]+ 316.10920 174.2
[M+K]+ 337.03854 172.7
[M+H-H2O]+ 281.07264 156.4
[M+HCOO]- 343.07358 185.0
[M+CH3COO]- 357.08923 177.3
[M+Na-2H]- 319.05005 169.1
[M]+ 298.07483 170.3
[M]- 298.07593 170.3
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.