CID 9646681

4-(2-((2-chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C25H23ClN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C25H23ClN2O5/c1-2-15-31-20-13-9-19(10-14-20)25(30)33-21-11-7-18(8-12-21)16-27-28-24(29)17-32-23-6-4-3-5-22(23)26/h3-14,16H,2,15,17H2,1H3,(H,28,29)/b27-16+
InChIKey
SXJGDGJGSPHJOJ-JVWAILMASA-N
Compound name
[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.12955 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13683 211.2
[M+Na]+ 489.11877 216.0
[M-H]- 465.12227 221.4
[M+NH4]+ 484.16337 219.5
[M+K]+ 505.09271 211.3
[M+H-H2O]+ 449.12681 200.3
[M+HCOO]- 511.12775 231.5
[M+CH3COO]- 525.14340 237.9
[M+Na-2H]- 487.10422 212.5
[M]+ 466.12900 218.9
[M]- 466.13010 218.9
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.