CID 9636411

4-(2-(4-bromobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H25BrN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)Br)OCC
InChI
InChI=1S/C26H25BrN2O5/c1-3-15-33-22-12-8-20(9-13-22)26(31)34-23-14-5-18(16-24(23)32-4-2)17-28-29-25(30)19-6-10-21(27)11-7-19/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30)/b28-17+
InChIKey
MAUSZRVSOPBGAQ-OGLMXYFKSA-N
Compound name
[4-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.09467 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.10195 217.0
[M+Na]+ 547.08389 223.0
[M-H]- 523.08739 228.8
[M+NH4]+ 542.12849 225.9
[M+K]+ 563.05783 212.0
[M+H-H2O]+ 507.09193 210.9
[M+HCOO]- 569.09287 238.1
[M+CH3COO]- 583.10852 244.6
[M+Na-2H]- 545.06934 217.9
[M]+ 524.09412 240.3
[M]- 524.09522 240.3
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.