CID 353211

Nsc600761

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1C(=NN(C1=O)C2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c20-16-11-15(13-4-2-1-3-5-13)18-19(16)14-8-6-12(7-9-14)10-17(21)22/h1-9H,10-11H2,(H,21,22)
InChIKey
WARDKRJMUSXGNI-UHFFFAOYSA-N
Compound name
2-[4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.7
[M+Na]+ 317.08965 174.4
[M-H]- 293.09315 172.9
[M+NH4]+ 312.13425 179.8
[M+K]+ 333.06359 169.4
[M+H-H2O]+ 277.09769 157.3
[M+HCOO]- 339.09863 186.5
[M+CH3COO]- 353.11428 198.9
[M+Na-2H]- 315.07510 168.1
[M]+ 294.09988 166.1
[M]- 294.10098 166.1
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.