CID 9612420

4-(2-((3-chlorophenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C25H21ClN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC(=CC=C2)Cl)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H21ClN2O5/c1-31-23-14-19(16-27-28-24(29)17-32-21-9-5-8-20(26)15-21)10-12-22(23)33-25(30)13-11-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)/b13-11+,27-16+
InChIKey
QGRKMCDFUBZPGC-FNPYFNSGSA-N
Compound name
[4-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1139 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.12118 210.5
[M+Na]+ 487.10312 224.1
[M+NH4]+ 482.14772 215.8
[M+K]+ 503.07706 215.3
[M-H]- 463.10662 216.4
[M+Na-2H]- 485.08857 219.4
[M]+ 464.11335 214.2
[M]- 464.11445 214.2
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.