CID 9624721

4-(2-((decanoylamino)ac)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H35Cl2N3O5
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC
InChI
InChI=1S/C28H35Cl2N3O5/c1-3-5-6-7-8-9-10-11-26(34)31-19-27(35)33-32-18-20-12-15-24(25(16-20)37-4-2)38-28(36)22-14-13-21(29)17-23(22)30/h12-18H,3-11,19H2,1-2H3,(H,31,34)(H,33,35)/b32-18+
InChIKey
GYOBLSPPJQSSNH-KCSSXMTESA-N
Compound name
[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.1954 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.20268 237.6
[M+Na]+ 586.18462 240.5
[M-H]- 562.18812 243.5
[M+NH4]+ 581.22922 243.2
[M+K]+ 602.15856 234.6
[M+H-H2O]+ 546.19266 228.4
[M+HCOO]- 608.19360 251.2
[M+CH3COO]- 622.20925 259.7
[M+Na-2H]- 584.17007 233.1
[M]+ 563.19485 248.9
[M]- 563.19595 248.9
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.