CID 9632870

765275-57-8

Structural Information

Molecular Formula
C20H14ClN3O5
SMILES
C1=CC=C(C(=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3)Cl
InChI
InChI=1S/C20H14ClN3O5/c21-15-4-1-2-5-16(15)23-18(25)19(26)24-22-12-13-7-9-14(10-8-13)29-20(27)17-6-3-11-28-17/h1-12H,(H,23,25)(H,24,26)/b22-12+
InChIKey
VPKZEMGLKKAXEA-WSDLNYQXSA-N
Compound name
[4-[(E)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0622 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.06948 196.7
[M+Na]+ 434.05142 202.1
[M-H]- 410.05492 208.7
[M+NH4]+ 429.09602 207.3
[M+K]+ 450.02536 199.3
[M+H-H2O]+ 394.05946 187.6
[M+HCOO]- 456.06040 219.0
[M+CH3COO]- 470.07605 226.4
[M+Na-2H]- 432.03687 198.8
[M]+ 411.06165 201.8
[M]- 411.06275 201.8
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.