CID 51060550

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C22H18N2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2O6/c1-29-20-11-14(7-10-19(20)30-22(28)15-5-3-2-4-6-15)13-23-24-21(27)17-9-8-16(25)12-18(17)26/h2-13,25-26H,1H3,(H,24,27)/b23-13+
InChIKey
XOGDFNJGVPHEMC-YDZHTSKRSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1165 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12378 196.0
[M+Na]+ 429.10572 208.0
[M+NH4]+ 424.15032 200.4
[M+K]+ 445.07966 202.4
[M-H]- 405.10922 200.7
[M+Na-2H]- 427.09117 203.8
[M]+ 406.11595 198.7
[M]- 406.11705 198.7
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.