CID 9598960

2-ethoxy-4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C28H24N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H24N2O4/c1-2-33-26-17-20(15-16-25(26)34-28(32)22-10-4-3-5-11-22)19-29-30-27(31)18-23-13-8-12-21-9-6-7-14-24(21)23/h3-17,19H,2,18H2,1H3,(H,30,31)/b29-19+
InChIKey
CEISRTFSQAHJNG-VUTHCHCSSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
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 210.6
[M+Na]+ 475.16282 214.4
[M-H]- 451.16632 221.2
[M+NH4]+ 470.20742 218.9
[M+K]+ 491.13676 209.5
[M+H-H2O]+ 435.17086 198.3
[M+HCOO]- 497.17180 233.4
[M+CH3COO]- 511.18745 239.1
[M+Na-2H]- 473.14827 213.7
[M]+ 452.17305 213.5
[M]- 452.17415 213.5
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.