CID 75356059

5-(1-phenyl-1h-pyrazol-4-yl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C3=C(C=NO3)C(=O)O
InChI
InChI=1S/C13H9N3O3/c17-13(18)11-7-15-19-12(11)9-6-14-16(8-9)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChIKey
HSIHBJJDFZNMTJ-UHFFFAOYSA-N
Compound name
5-(1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06439 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.071666 151.8
[M+Na]+ 278.053608 162.1
[M-H]- 254.057114 158.7
[M+NH4]+ 273.098213 165.9
[M+K]+ 294.027548 159.5
[M+H-H2O]+ 238.061650 143.2
[M+HCOO]- 300.062591 174.3
[M+CH3COO]- 314.078241 164.9
[M+Na-2H]- 276.039056 155.7
[M]+ 255.06384142 155.0
[M]- 255.06493858 155.0
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.