CID 9650087

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

Structural Information

Molecular Formula
C17H15Cl2N3O3S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2N3O3S/c1-2-24-15-7-10(9-21-22-17(20)26)3-6-14(15)25-16(23)12-5-4-11(18)8-13(12)19/h3-9H,2H2,1H3,(H3,20,22,26)/b21-9+
InChIKey
AABVSYKHNFSGOL-ZVBGSRNCSA-N
Compound name
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.02112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02840 193.4
[M+Na]+ 434.01034 205.1
[M+NH4]+ 429.05494 199.8
[M+K]+ 449.98428 195.8
[M-H]- 410.01384 197.7
[M+Na-2H]- 431.99579 199.4
[M]+ 411.02057 197.0
[M]- 411.02167 197.0
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.