CID 9644660

4-(2-((4-chlorophenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C23H19ClN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19ClN2O5/c1-29-21-13-16(7-12-20(21)31-23(28)17-5-3-2-4-6-17)14-25-26-22(27)15-30-19-10-8-18(24)9-11-19/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
VCNQPNOKUUDXJC-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09824 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10552 202.7
[M+Na]+ 461.08746 216.6
[M+NH4]+ 456.13206 208.6
[M+K]+ 477.06140 208.4
[M-H]- 437.09096 208.9
[M+Na-2H]- 459.07291 212.1
[M]+ 438.09769 206.6
[M]- 438.09879 206.6
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.