CID 45055324

4-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)-2-meo-ph 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H25BrN2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)Br)OC
InChI
InChI=1S/C26H25BrN2O6/c1-4-33-21-10-6-19(7-11-21)26(31)35-23-14-5-18(15-24(23)32-3)16-28-29-25(30)17(2)34-22-12-8-20(27)9-13-22/h5-17H,4H2,1-3H3,(H,29,30)/b28-16+
InChIKey
SFZQQYPPZGBACC-LQKURTRISA-N
Compound name
[4-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0896 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.09688 214.6
[M+Na]+ 563.07882 216.9
[M+NH4]+ 558.12342 215.6
[M+K]+ 579.05276 216.5
[M-H]- 539.08232 217.8
[M+Na-2H]- 561.06427 218.4
[M]+ 540.08905 214.4
[M]- 540.09015 214.4
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.