CID 45055227

4-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)-2-ethoxy-ph 4-meo-benzoate

Structural Information

Molecular Formula
C26H25ClN2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H25ClN2O6/c1-4-33-24-15-18(5-14-23(24)35-26(31)19-6-10-21(32-3)11-7-19)16-28-29-25(30)17(2)34-22-12-8-20(27)9-13-22/h5-17H,4H2,1-3H3,(H,29,30)/b28-16+
InChIKey
QZMKBVFXAFONLJ-LQKURTRISA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1401 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.14738 217.6
[M+Na]+ 519.12932 222.3
[M-H]- 495.13282 228.1
[M+NH4]+ 514.17392 224.7
[M+K]+ 535.10326 219.1
[M+H-H2O]+ 479.13736 206.8
[M+HCOO]- 541.13830 236.8
[M+CH3COO]- 555.15395 245.2
[M+Na-2H]- 517.11477 216.8
[M]+ 496.13955 226.9
[M]- 496.14065 226.9
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.