CID 9607752

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H14Cl2N2O5
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H14Cl2N2O5/c22-13-3-7-16(18(23)9-13)21(29)30-15-5-1-12(2-6-15)11-24-25-20(28)17-8-4-14(26)10-19(17)27/h1-11,26-27H,(H,25,28)/b24-11+
InChIKey
XOZFXRHNVUUQDY-BHGWPJFGSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.02798 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.03526 198.0
[M+Na]+ 467.01720 206.1
[M-H]- 443.02070 206.5
[M+NH4]+ 462.06180 207.2
[M+K]+ 482.99114 200.0
[M+H-H2O]+ 427.02524 190.2
[M+HCOO]- 489.02618 212.0
[M+CH3COO]- 503.04183 228.6
[M+Na-2H]- 465.00265 198.7
[M]+ 444.02743 203.6
[M]- 444.02853 203.6
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.