CID 9678476

4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C28H24N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H24N2O4/c1-2-33-24-16-12-22(13-17-24)28(32)34-25-14-10-20(11-15-25)19-29-30-27(31)18-23-8-5-7-21-6-3-4-9-26(21)23/h3-17,19H,2,18H2,1H3,(H,30,31)/b29-19+
InChIKey
OPTDMVATFKQKDO-VUTHCHCSSA-N
Compound name
[4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1736 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18088 211.7
[M+Na]+ 475.16282 226.1
[M+NH4]+ 470.20742 218.2
[M+K]+ 491.13676 216.5
[M-H]- 451.16632 219.3
[M+Na-2H]- 473.14827 221.5
[M]+ 452.17305 215.9
[M]- 452.17415 215.9
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.