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
2
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]+ 309.134596 170.5
[M+Na]+ 331.116538 179.2
[M-H]- 307.120044 181.1
[M+NH4]+ 326.161143 185.0
[M+K]+ 347.090478 175.5
[M+H-H2O]+ 291.124580 159.7
[M+HCOO]- 353.125521 197.8
[M+CH3COO]- 367.141171 213.8
[M+Na-2H]- 329.101986 174.8
[M]+ 308.12677142 173.6
[M]- 308.12786858 173.6
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.