CID 9651564

4-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C28H22N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H22N2O5/c1-34-26-15-20(11-13-25(26)35-27(32)14-12-19-7-3-2-4-8-19)18-29-30-28(33)23-16-21-9-5-6-10-22(21)17-24(23)31/h2-18,31H,1H3,(H,30,33)/b14-12+,29-18+
InChIKey
BQALRXCDERLKDI-WPVXNMNASA-N
Compound name
[4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.15286 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.16014 213.7
[M+Na]+ 489.14208 227.5
[M+NH4]+ 484.18668 219.1
[M+K]+ 505.11602 218.9
[M-H]- 465.14558 220.2
[M+Na-2H]- 487.12753 222.3
[M]+ 466.15231 217.4
[M]- 466.15341 217.4
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.