CID 51060546

881468-73-1

Structural Information

Molecular Formula
C21H15Cl2N3O5
SMILES
C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H15Cl2N3O5/c22-16-8-5-14(10-17(16)23)20(28)24-12-19(27)26-25-11-13-3-6-15(7-4-13)31-21(29)18-2-1-9-30-18/h1-11H,12H2,(H,24,28)(H,26,27)/b25-11+
InChIKey
FYVRIWWUPISZPS-OPEKNORGSA-N
Compound name
[4-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.03888 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.04616 208.5
[M+Na]+ 482.02810 214.7
[M-H]- 458.03160 219.9
[M+NH4]+ 477.07270 218.0
[M+K]+ 498.00204 210.6
[M+H-H2O]+ 442.03614 200.2
[M+HCOO]- 504.03708 225.3
[M+CH3COO]- 518.05273 234.9
[M+Na-2H]- 480.01355 208.6
[M]+ 459.03833 216.0
[M]- 459.03943 216.0
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.