CID 9632969

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.15286 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16014 203.5
[M+Na]+ 453.14208 206.1
[M-H]- 429.14558 212.2
[M+NH4]+ 448.18668 211.0
[M+K]+ 469.11602 202.2
[M+H-H2O]+ 413.15012 192.3
[M+HCOO]- 475.15106 225.9
[M+CH3COO]- 489.16671 230.8
[M+Na-2H]- 451.12753 204.4
[M]+ 430.15231 204.9
[M]- 430.15341 204.9
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.