CID 9630882

767339-23-1

Structural Information

Molecular Formula
C22H17ClN2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H17ClN2O6/c1-30-20-10-13(12-24-25-21(28)16-8-7-14(26)11-18(16)27)6-9-19(20)31-22(29)15-4-2-3-5-17(15)23/h2-12,26-27H,1H3,(H,25,28)/b24-12+
InChIKey
MPIIDAFTPILUMJ-WYMPLXKRSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0775 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08478 199.8
[M+Na]+ 463.06672 206.7
[M-H]- 439.07022 208.8
[M+NH4]+ 458.11132 208.3
[M+K]+ 479.04066 202.3
[M+H-H2O]+ 423.07476 190.6
[M+HCOO]- 485.07570 218.5
[M+CH3COO]- 499.09135 230.0
[M+Na-2H]- 461.05217 200.7
[M]+ 440.07695 205.3
[M]- 440.07805 205.3
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.