CID 9631037

2-ethoxy-4-(2-((4-ethoxyanilino)(oxo)ac)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H23Cl2N3O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OCC
InChI
InChI=1S/C26H23Cl2N3O6/c1-3-35-19-9-7-18(8-10-19)30-24(32)25(33)31-29-15-16-5-12-22(23(13-16)36-4-2)37-26(34)20-11-6-17(27)14-21(20)28/h5-15H,3-4H2,1-2H3,(H,30,32)(H,31,33)/b29-15+
InChIKey
QAPPGNFXVSAPIR-WKULSOCRSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.0964 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.10368 226.0
[M+Na]+ 566.08562 231.5
[M-H]- 542.08912 236.3
[M+NH4]+ 561.13022 232.0
[M+K]+ 582.05956 227.2
[M+H-H2O]+ 526.09366 216.3
[M+HCOO]- 588.09460 241.6
[M+CH3COO]- 602.11025 253.2
[M+Na-2H]- 564.07107 224.6
[M]+ 543.09585 236.1
[M]- 543.09695 236.1
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.