CID 9682034

2-methoxy-4-(2-((4-methylphenoxy)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C26H24N2O5
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H24N2O5/c1-19-8-12-22(13-9-19)32-18-25(29)28-27-17-21-10-14-23(24(16-21)31-2)33-26(30)15-11-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,28,29)/b15-11+,27-17+
InChIKey
UYIQOWLEEYJCMQ-VCQIIKIXSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16852 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17580 208.5
[M+Na]+ 467.15774 212.3
[M-H]- 443.16124 218.6
[M+NH4]+ 462.20234 216.5
[M+K]+ 483.13168 208.4
[M+H-H2O]+ 427.16578 196.6
[M+HCOO]- 489.16672 233.0
[M+CH3COO]- 503.18237 236.2
[M+Na-2H]- 465.14319 209.6
[M]+ 444.16797 212.9
[M]- 444.16907 212.9
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.