CID 51060571

Methyl 4-((2-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C23H20N2O6
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C23H20N2O6/c1-30-23(29)16-8-6-15(7-9-16)14-31-21-5-3-2-4-17(21)13-24-25-22(28)19-11-10-18(26)12-20(19)27/h2-13,26-27H,14H2,1H3,(H,25,28)/b24-13+
InChIKey
XZRJNPOMSAOIBZ-ZMOGYAJESA-N
Compound name
methyl 4-[[2-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.13214 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13942 198.0
[M+Na]+ 443.12136 202.6
[M-H]- 419.12486 206.4
[M+NH4]+ 438.16596 205.9
[M+K]+ 459.09530 199.4
[M+H-H2O]+ 403.12940 187.3
[M+HCOO]- 465.13034 220.6
[M+CH3COO]- 479.14599 228.1
[M+Na-2H]- 441.10681 199.5
[M]+ 420.13159 200.6
[M]- 420.13269 200.6
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.