CID 9671501

2-ethoxy-4-((e)-{[(2-isopropyl-5-methylphenoxy)acetyl]hydrazono}methyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H28Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C=CC(=C2)C)C(C)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C28H28Cl2N2O5/c1-5-35-26-13-19(7-11-24(26)37-28(34)22-10-8-20(29)14-23(22)30)15-31-32-27(33)16-36-25-12-18(4)6-9-21(25)17(2)3/h6-15,17H,5,16H2,1-4H3,(H,32,33)/b31-15+
InChIKey
HINREHSUCWWBNO-IBBHUPRXSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.1375 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.14478 229.2
[M+Na]+ 565.12672 235.4
[M-H]- 541.13022 239.3
[M+NH4]+ 560.17132 235.9
[M+K]+ 581.10066 230.3
[M+H-H2O]+ 525.13476 219.5
[M+HCOO]- 587.13570 242.6
[M+CH3COO]- 601.15135 254.5
[M+Na-2H]- 563.11217 225.2
[M]+ 542.13695 240.4
[M]- 542.13805 240.4
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.