CID 35686

30926-22-8

Structural Information

Molecular Formula
C17H14N4O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,15H,1H3,(H,23,24)
InChIKey
RCYTWTBFGNSMQC-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

322.1066 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 174.2
[M+Na]+ 345.09582 186.8
[M+NH4]+ 340.14042 180.1
[M+K]+ 361.06976 182.5
[M-H]- 321.09932 179.0
[M+Na-2H]- 343.08127 182.6
[M]+ 322.10605 177.0
[M]- 322.10715 177.0
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.