CID 9631785

2-ethoxy-4-(2-((4-ethylanilino)(oxo)ac)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H24ClN3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OCC
InChI
InChI=1S/C26H24ClN3O5/c1-3-17-5-12-21(13-6-17)29-24(31)25(32)30-28-16-18-7-14-22(23(15-18)34-4-2)35-26(33)19-8-10-20(27)11-9-19/h5-16H,3-4H2,1-2H3,(H,29,31)(H,30,32)/b28-16+
InChIKey
RYZDCXHBDKCXDQ-LQKURTRISA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14044 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.14772 219.1
[M+Na]+ 516.12966 223.5
[M-H]- 492.13316 229.6
[M+NH4]+ 511.17426 226.2
[M+K]+ 532.10360 219.1
[M+H-H2O]+ 476.13770 208.3
[M+HCOO]- 538.13864 239.3
[M+CH3COO]- 552.15429 246.4
[M+Na-2H]- 514.11511 218.6
[M]+ 493.13989 225.5
[M]- 493.14099 225.5
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.