CID 9665033

2-ethoxy-4-(2-(((3-me-benzoyl)amino)ac)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H23Cl2N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC(=C2)C)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H23Cl2N3O5/c1-3-35-23-12-17(7-10-22(23)36-26(34)20-9-8-19(27)13-21(20)28)14-30-31-24(32)15-29-25(33)18-6-4-5-16(2)11-18/h4-14H,3,15H2,1-2H3,(H,29,33)(H,31,32)/b30-14+
InChIKey
OEHWKXRRSFWFFD-AMVVHIIESA-N
Compound name
[2-ethoxy-4-[(E)-[[2-[(3-methylbenzoyl)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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.10878 224.2
[M+Na]+ 550.09072 230.0
[M-H]- 526.09422 234.4
[M+NH4]+ 545.13532 230.9
[M+K]+ 566.06466 224.7
[M+H-H2O]+ 510.09876 214.7
[M+HCOO]- 572.09970 239.6
[M+CH3COO]- 586.11535 251.7
[M+Na-2H]- 548.07617 222.5
[M]+ 527.10095 233.0
[M]- 527.10205 233.0
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.