CID 51060204

2-ethoxy-4-(2-(4-methoxybenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H24N2O6/c1-4-32-23-15-17(16-26-27-24(28)18-6-10-20(30-2)11-7-18)5-14-22(23)33-25(29)19-8-12-21(31-3)13-9-19/h5-16H,4H2,1-3H3,(H,27,28)/b26-16+
InChIKey
SFGSCFYUQRWURV-WGOQTCKBSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.170696 207.4
[M+Na]+ 471.152638 211.9
[M-H]- 447.156144 218.1
[M+NH4]+ 466.197243 215.5
[M+K]+ 487.126578 209.8
[M+H-H2O]+ 431.160680 195.6
[M+HCOO]- 493.161621 232.2
[M+CH3COO]- 507.177271 238.1
[M+Na-2H]- 469.138086 208.5
[M]+ 448.16287142 214.2
[M]- 448.16396858 214.2
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.