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 218.9
[M+Na]+ 563.07882 224.2
[M-H]- 539.08232 230.7
[M+NH4]+ 558.12342 226.9
[M+K]+ 579.05276 214.6
[M+H-H2O]+ 523.08686 212.7
[M+HCOO]- 585.08780 239.2
[M+CH3COO]- 599.10345 247.4
[M+Na-2H]- 561.06427 219.0
[M]+ 540.08905 242.9
[M]- 540.09015 242.9
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.