CID 51060241

4-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl benzoate

Structural Information

Molecular Formula
C28H23BrN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H23BrN2O5/c1-2-34-25-16-19(12-14-23(25)36-28(33)21-9-4-3-5-10-21)17-30-31-26(32)18-35-24-15-13-20-8-6-7-11-22(20)27(24)29/h3-17H,2,18H2,1H3,(H,31,32)/b30-17+
InChIKey
JHMDIWKMIHILCW-OCSSWDANSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.07904 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.08632 217.9
[M+Na]+ 569.06826 222.2
[M+NH4]+ 564.11286 220.3
[M+K]+ 585.04220 219.6
[M-H]- 545.07176 222.7
[M+Na-2H]- 567.05371 222.9
[M]+ 546.07849 218.7
[M]- 546.07959 218.7
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.