CID 9658751

3-(2-((2-allylphenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H20Cl2N2O4
SMILES
C=CCC1=CC=CC=C1OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H20Cl2N2O4/c1-2-6-18-8-3-4-10-23(18)32-16-24(30)29-28-15-17-7-5-9-20(13-17)33-25(31)21-12-11-19(26)14-22(21)27/h2-5,7-15H,1,6,16H2,(H,29,30)/b28-15+
InChIKey
OANAWVUUEPSTEB-RWPZCVJISA-N
Compound name
[3-[(E)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.08002 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.08730 214.0
[M+Na]+ 505.06924 220.7
[M-H]- 481.07274 223.8
[M+NH4]+ 500.11384 222.6
[M+K]+ 521.04318 213.7
[M+H-H2O]+ 465.07728 204.4
[M+HCOO]- 527.07822 229.3
[M+CH3COO]- 541.09387 239.9
[M+Na-2H]- 503.05469 213.6
[M]+ 482.07947 221.7
[M]- 482.08057 221.7
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.