CID 45055031

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C25H24N2O6/c1-3-32-20-12-10-19(11-13-20)25(30)33-21-14-9-17(15-22(21)31-2)16-26-27-24(29)23(28)18-7-5-4-6-8-18/h4-16,23,28H,3H2,1-2H3,(H,27,29)/b26-16+
InChIKey
XWHAIXHLYVWRDS-WGOQTCKBSA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17070 206.8
[M+Na]+ 471.15264 209.6
[M-H]- 447.15614 215.8
[M+NH4]+ 466.19724 213.8
[M+K]+ 487.12658 207.3
[M+H-H2O]+ 431.16068 195.4
[M+HCOO]- 493.16162 229.1
[M+CH3COO]- 507.17727 235.6
[M+Na-2H]- 469.13809 207.2
[M]+ 448.16287 210.7
[M]- 448.16397 210.7
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.