CID 19616624

937597-65-4

Structural Information

Molecular Formula
C17H10N2O4
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C(=CC(=N3)C4=CC=CO4)C(=O)O
InChI
InChI=1S/C17H10N2O4/c20-17(21)11-9-12(13-7-4-8-22-13)18-16-14(11)15(19-23-16)10-5-2-1-3-6-10/h1-9H,(H,20,21)
InChIKey
UVFDODMDTQOIQP-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07134 165.3
[M+Na]+ 329.05328 176.1
[M-H]- 305.05678 175.3
[M+NH4]+ 324.09788 178.3
[M+K]+ 345.02722 173.9
[M+H-H2O]+ 289.06132 157.7
[M+HCOO]- 351.06226 186.7
[M+CH3COO]- 365.07791 178.3
[M+Na-2H]- 327.03873 169.5
[M]+ 306.06351 170.6
[M]- 306.06461 170.6
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.