CID 89531

Dtxsid20885179

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 197.5
[M+Na]+ 431.11147 207.3
[M-H]- 407.11497 209.6
[M+NH4]+ 426.15607 209.4
[M+K]+ 447.08541 200.8
[M+H-H2O]+ 391.11951 185.5
[M+HCOO]- 453.12045 220.1
[M+CH3COO]- 467.13610 208.0
[M+Na-2H]- 429.09692 200.6
[M]+ 408.12170 199.8
[M]- 408.12280 199.8
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.