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 210.7
[M+Na]+ 487.10312 215.9
[M-H]- 463.10662 221.0
[M+NH4]+ 482.14772 219.0
[M+K]+ 503.07706 210.6
[M+H-H2O]+ 447.11116 199.9
[M+HCOO]- 509.11210 231.2
[M+CH3COO]- 523.12775 236.7
[M+Na-2H]- 485.08857 211.9
[M]+ 464.11335 217.6
[M]- 464.11445 217.6
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.