CID 62545

Solvent yellow 72

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2OC)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,16H,1-2H3
InChIKey
UXNFQAZIRFBOKO-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

308.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 172.1
[M+Na]+ 331.11654 186.1
[M+NH4]+ 326.16114 179.4
[M+K]+ 347.09048 180.2
[M-H]- 307.12004 178.4
[M+Na-2H]- 329.10199 182.0
[M]+ 308.12677 175.8
[M]- 308.12787 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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