CID 45055325

1-(2-(((1-br-2-naphthyl)oxy)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H23BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br
InChI
InChI=1S/C31H23BrN2O5/c1-37-23-14-10-22(11-15-23)31(36)39-27-16-12-20-6-2-4-8-24(20)26(27)18-33-34-29(35)19-38-28-17-13-21-7-3-5-9-25(21)30(28)32/h2-18H,19H2,1H3,(H,34,35)/b33-18+
InChIKey
XLPWMYOQFMEXFN-DPNNOFEESA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.07904 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.08632 226.2
[M+Na]+ 605.06826 232.7
[M+NH4]+ 600.11286 229.3
[M+K]+ 621.04220 228.8
[M-H]- 581.07176 232.2
[M+Na-2H]- 603.05371 232.1
[M]+ 582.07849 227.8
[M]- 582.07959 227.8
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.