CID 44153571

72639-38-4

Structural Information

Molecular Formula
C17H13ClN4O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H13ClN4O3/c1-10-15(20-19-13-8-4-2-6-11(13)17(24)25)16(23)22(21-10)14-9-5-3-7-12(14)18/h2-9,15H,1H3,(H,24,25)
InChIKey
QDILUSXTRRWONP-UHFFFAOYSA-N
Compound name
2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.06763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07491 180.2
[M+Na]+ 379.05685 194.0
[M+NH4]+ 374.10145 186.3
[M+K]+ 395.03079 189.0
[M-H]- 355.06035 185.1
[M+Na-2H]- 377.04230 188.4
[M]+ 356.06708 183.6
[M]- 356.06818 183.6
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.