CID 89531

21736-60-7

Structural Information

Molecular Formula
C24H16N4O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C24H16N4O3/c1-14-21(24(31)28(27-14)15-8-3-2-4-9-15)26-25-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3
InChIKey
UKHANRPQRABKCI-UHFFFAOYSA-N
Compound name
1-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.12225 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12953 197.7
[M+Na]+ 431.11147 213.8
[M+NH4]+ 426.15607 205.0
[M+K]+ 447.08541 206.3
[M-H]- 407.11497 205.1
[M+Na-2H]- 429.09692 206.1
[M]+ 408.12170 202.1
[M]- 408.12280 202.1
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.