CID 9650086

4-(2-(aminocarbonyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C17H15Cl2N3O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)N)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2N3O4/c1-2-25-15-7-10(9-21-22-17(20)24)3-6-14(15)26-16(23)12-5-4-11(18)8-13(12)19/h3-9H,2H2,1H3,(H3,20,22,24)/b21-9+
InChIKey
AVDUXQSPIJQMLA-ZVBGSRNCSA-N
Compound name
[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.04398 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05126 188.9
[M+Na]+ 418.03320 196.9
[M-H]- 394.03670 196.3
[M+NH4]+ 413.07780 201.3
[M+K]+ 434.00714 191.9
[M+H-H2O]+ 378.04124 181.9
[M+HCOO]- 440.04218 206.1
[M+CH3COO]- 454.05783 226.3
[M+Na-2H]- 416.01865 189.6
[M]+ 395.04343 195.3
[M]- 395.04453 195.3
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.