CID 9612544

2-methoxy-4-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C25H22N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H22N2O5/c1-30-23-16-20(17-26-27-24(28)18-31-21-10-6-3-7-11-21)12-14-22(23)32-25(29)15-13-19-8-4-2-5-9-19/h2-17H,18H2,1H3,(H,27,28)/b15-13+,26-17+
InChIKey
GSCWCRJRVBXMFE-AROWNJAOSA-N
Compound name
[2-methoxy-4-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.15286 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16014 203.7
[M+Na]+ 453.14208 207.0
[M-H]- 429.14558 213.6
[M+NH4]+ 448.18668 212.0
[M+K]+ 469.11602 203.2
[M+H-H2O]+ 413.15012 191.9
[M+HCOO]- 475.15106 228.6
[M+CH3COO]- 489.16671 232.0
[M+Na-2H]- 451.12753 206.0
[M]+ 430.15231 207.4
[M]- 430.15341 207.4
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.