CID 45055322

4-(2-((3,4-dimethylphenoxy)ac)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H25ClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC(=C(C=C2)C)C)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H25ClN2O5/c1-4-32-24-14-19(6-12-23(24)34-26(31)20-7-9-21(27)10-8-20)15-28-29-25(30)16-33-22-11-5-17(2)18(3)13-22/h5-15H,4,16H2,1-3H3,(H,29,30)/b28-15+
InChIKey
YKOBJOBYEBHGEJ-RWPZCVJISA-N
Compound name
[4-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1452 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15248 216.3
[M+Na]+ 503.13442 222.4
[M-H]- 479.13792 227.1
[M+NH4]+ 498.17902 224.6
[M+K]+ 519.10836 217.8
[M+H-H2O]+ 463.14246 205.6
[M+HCOO]- 525.14340 236.2
[M+CH3COO]- 539.15905 243.4
[M+Na-2H]- 501.11987 215.6
[M]+ 480.14465 225.2
[M]- 480.14575 225.2
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.