CID 51060449

4-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3OC
InChI
InChI=1S/C25H24N2O6/c1-3-31-20-14-10-19(11-15-20)25(29)33-21-12-8-18(9-13-21)16-26-27-24(28)17-32-23-7-5-4-6-22(23)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)/b26-16+
InChIKey
LNCUMMIUCAMCDA-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17070 207.0
[M+Na]+ 471.15264 210.6
[M-H]- 447.15614 217.3
[M+NH4]+ 466.19724 214.8
[M+K]+ 487.12658 208.4
[M+H-H2O]+ 431.16068 195.0
[M+HCOO]- 493.16162 231.9
[M+CH3COO]- 507.17727 236.8
[M+Na-2H]- 469.13809 208.9
[M]+ 448.16287 213.3
[M]- 448.16397 213.3
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.