CID 9650083

2-ethoxy-4-(2-((2-nitrophenoxy)ac)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H19Cl2N3O7
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O7/c1-2-34-22-11-15(7-10-21(22)36-24(31)17-9-8-16(25)12-18(17)26)13-27-28-23(30)14-35-20-6-4-3-5-19(20)29(32)33/h3-13H,2,14H2,1H3,(H,28,30)/b27-13+
InChIKey
ASOXVAIFGPEJIF-UVHMKAGCSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.06 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.06728 222.7
[M+Na]+ 554.04922 226.6
[M-H]- 530.05272 232.2
[M+NH4]+ 549.09382 227.9
[M+K]+ 570.02316 218.8
[M+H-H2O]+ 514.05726 217.3
[M+HCOO]- 576.05820 238.8
[M+CH3COO]- 590.07385 241.9
[M+Na-2H]- 552.03467 224.2
[M]+ 531.05945 230.9
[M]- 531.06055 230.9
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.