CID 89506

21519-06-2

Structural Information

Molecular Formula
C22H18N6O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C22H18N6O2/c1-15-21(22(30)28(27-15)19-8-5-9-20(29)14-19)26-25-18-12-10-17(11-13-18)24-23-16-6-3-2-4-7-16/h2-14,21,29H,1H3
InChIKey
MGLMOTGKYYVGOK-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-5-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1491 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15638 193.1
[M+Na]+ 421.13832 200.5
[M-H]- 397.14182 207.9
[M+NH4]+ 416.18292 203.3
[M+K]+ 437.11226 195.5
[M+H-H2O]+ 381.14636 179.9
[M+HCOO]- 443.14730 223.2
[M+CH3COO]- 457.16295 204.1
[M+Na-2H]- 419.12377 198.3
[M]+ 398.14855 195.3
[M]- 398.14965 195.3
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.