CID 5775038

Nsc660298

Structural Information

Molecular Formula
C31H24Cl2N8O2
SMILES
C1=CC=C(C=C1)/C(=N\NC2=C(C(=O)NN=C2)Cl)/CC3=CC=C(C=C3)/C=C/C(=N/NC4=C(C(=O)NN=C4)Cl)/C5=CC=CC=C5
InChI
InChI=1S/C31H24Cl2N8O2/c32-28-26(18-34-40-30(28)42)38-36-24(22-7-3-1-4-8-22)16-15-20-11-13-21(14-12-20)17-25(23-9-5-2-6-10-23)37-39-27-19-35-41-31(43)29(27)33/h1-16,18-19H,17H2,(H2,38,40,42)(H2,39,41,43)/b16-15+,36-24-,37-25-
InChIKey
QBAAUHGRHOCIRO-SFDLYJPYSA-N
Compound name
5-chloro-4-[(2Z)-2-[2-[4-[(E,3Z)-3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]-3-phenylprop-1-enyl]phenyl]-1-phenylethylidene]hydrazinyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.13995 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.14723 237.5
[M+Na]+ 633.12917 242.2
[M-H]- 609.13267 246.1
[M+NH4]+ 628.17377 233.1
[M+K]+ 649.10311 231.2
[M+H-H2O]+ 593.13721 222.0
[M+HCOO]- 655.13815 247.4
[M+CH3COO]- 669.15380 240.7
[M+Na-2H]- 631.11462 241.6
[M]+ 610.13940 238.0
[M]- 610.14050 238.0
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.