CID 9637767

765278-34-0

Structural Information

Molecular Formula
C26H16Cl2N4O5
SMILES
C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H16Cl2N4O5/c27-19-6-1-16(2-7-19)25(34)36-21-10-5-18(14-31-32-24(33)22-15-29-11-12-30-22)23(13-21)37-26(35)17-3-8-20(28)9-4-17/h1-15H,(H,32,33)/b31-14+
InChIKey
ISCQQFKXOHAEKS-XAZZYMPDSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.0498 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05708 220.8
[M+Na]+ 557.03902 236.9
[M+NH4]+ 552.08362 225.4
[M+K]+ 573.01296 228.4
[M-H]- 533.04252 227.6
[M+Na-2H]- 555.02447 231.7
[M]+ 534.04925 225.5
[M]- 534.05035 225.5
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.