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 222.7
[M+Na]+ 569.06826 228.5
[M-H]- 545.07176 234.9
[M+NH4]+ 564.11286 231.2
[M+K]+ 585.04220 217.7
[M+H-H2O]+ 529.07630 216.5
[M+HCOO]- 591.07724 242.5
[M+CH3COO]- 605.09289 248.0
[M+Na-2H]- 567.05371 225.5
[M]+ 546.07849 245.0
[M]- 546.07959 245.0
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.