CID 3021111

86427-68-1

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c1-12-16(19-18-13-7-6-10-15(11-13)23-2)17(22)21(20-12)14-8-4-3-5-9-14/h3-11,16H,1-2H3
InChIKey
JLXUFXYSMWPCQF-UHFFFAOYSA-N
Compound name
4-[(3-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.