CID 9634530

2-ethoxy-4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H17Cl2N3O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H17Cl2N3O4/c1-2-30-20-10-14(12-26-27-21(28)15-4-3-9-25-13-15)5-8-19(20)31-22(29)17-7-6-16(23)11-18(17)24/h3-13H,2H2,1H3,(H,27,28)/b26-12+
InChIKey
FCRUIOXUXKPOCC-RPPGKUMJSA-N
Compound name
[2-ethoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.0596 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.06688 204.2
[M+Na]+ 480.04882 211.9
[M-H]- 456.05232 213.3
[M+NH4]+ 475.09342 212.6
[M+K]+ 496.02276 205.9
[M+H-H2O]+ 440.05686 194.1
[M+HCOO]- 502.05780 219.1
[M+CH3COO]- 516.07345 234.6
[M+Na-2H]- 478.03427 205.8
[M]+ 457.05905 212.0
[M]- 457.06015 212.0
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.