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]+ 256.07167 151.8
[M+Na]+ 278.05361 162.1
[M-H]- 254.05711 158.7
[M+NH4]+ 273.09821 165.9
[M+K]+ 294.02755 159.5
[M+H-H2O]+ 238.06165 143.2
[M+HCOO]- 300.06259 174.3
[M+CH3COO]- 314.07824 164.9
[M+Na-2H]- 276.03906 155.7
[M]+ 255.06384 155.0
[M]- 255.06494 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.