CID 9665032

4-(2-acetylcarbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C18H16Cl2N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O4/c1-3-25-17-8-12(10-21-22-11(2)23)4-7-16(17)26-18(24)14-6-5-13(19)9-15(14)20/h4-10H,3H2,1-2H3,(H,22,23)/b21-10+
InChIKey
FMDQRZBEHWRNJV-UFFVCSGVSA-N
Compound name
[4-[(E)-(acetylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0487 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05598 188.1
[M+Na]+ 417.03792 196.6
[M-H]- 393.04142 195.9
[M+NH4]+ 412.08252 201.2
[M+K]+ 433.01186 191.5
[M+H-H2O]+ 377.04596 181.1
[M+HCOO]- 439.04690 204.6
[M+CH3COO]- 453.06255 224.4
[M+Na-2H]- 415.02337 189.0
[M]+ 394.04815 196.5
[M]- 394.04925 196.5
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.