CID 207854

Brn 0899311

Structural Information

Molecular Formula
C17H14N4O4
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C(=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N4O4/c1-10-15(16(23)21(20-10)12-5-3-2-4-6-12)19-18-11-7-8-13(17(24)25)14(22)9-11/h2-9,15,22H,1H3,(H,24,25)
InChIKey
CHZMYYUAIICYSZ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10878 177.8
[M+Na]+ 361.09072 189.7
[M+NH4]+ 356.13532 182.7
[M+K]+ 377.06466 186.5
[M-H]- 337.09422 181.7
[M+Na-2H]- 359.07617 184.9
[M]+ 338.10095 180.1
[M]- 338.10205 180.1
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.