CID 9646372

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

Structural Information

Molecular Formula
C28H26N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2CC=C)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C28H26N2O5/c1-3-9-23-12-7-8-13-24(23)34-20-27(31)30-29-19-22-14-16-25(26(18-22)33-2)35-28(32)17-15-21-10-5-4-6-11-21/h3-8,10-19H,1,9,20H2,2H3,(H,30,31)/b17-15+,29-19+
InChIKey
YUPKTJFICJGCJC-BDADAALASA-N
Compound name
[2-methoxy-4-[(E)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18417 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19145 216.2
[M+Na]+ 493.17339 219.3
[M-H]- 469.17689 225.9
[M+NH4]+ 488.21799 223.0
[M+K]+ 509.14733 214.4
[M+H-H2O]+ 453.18143 204.0
[M+HCOO]- 515.18237 240.1
[M+CH3COO]- 529.19802 241.4
[M+Na-2H]- 491.15884 216.2
[M]+ 470.18362 220.5
[M]- 470.18472 220.5
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.