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 212.4
[M+Na]+ 489.14208 216.7
[M-H]- 465.14558 222.1
[M+NH4]+ 484.18668 219.6
[M+K]+ 505.11602 211.6
[M+H-H2O]+ 449.15012 200.5
[M+HCOO]- 511.15106 234.1
[M+CH3COO]- 525.16671 239.3
[M+Na-2H]- 487.12753 214.7
[M]+ 466.15231 214.7
[M]- 466.15341 214.7
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.