CID 9633199

4-(2-(((4-propoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H23Cl2N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H23Cl2N3O5/c1-2-13-35-20-10-5-18(6-11-20)25(33)29-16-24(32)31-30-15-17-3-8-21(9-4-17)36-26(34)22-12-7-19(27)14-23(22)28/h3-12,14-15H,2,13,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
InChIKey
CPZQTNQHUIECBL-FJEPWZHXSA-N
Compound name
[4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.1015 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.10878 223.7
[M+Na]+ 550.09072 228.5
[M-H]- 526.09422 233.5
[M+NH4]+ 545.13532 230.0
[M+K]+ 566.06466 223.1
[M+H-H2O]+ 510.09876 213.9
[M+HCOO]- 572.09970 239.1
[M+CH3COO]- 586.11535 250.3
[M+Na-2H]- 548.07617 222.7
[M]+ 527.10095 232.0
[M]- 527.10205 232.0
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.