CID 9650368

4-(2-(3-bromobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C22H16Br2N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C22H16Br2N2O4/c1-29-20-10-14(13-25-26-21(27)15-4-2-6-17(23)11-15)8-9-19(20)30-22(28)16-5-3-7-18(24)12-16/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
BAUZXJXJTHPKAX-DHRITJCHSA-N
Compound name
[4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.9477 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.95498 189.3
[M+Na]+ 552.93692 184.7
[M+NH4]+ 547.98152 189.8
[M+K]+ 568.91086 190.0
[M-H]- 528.94042 192.3
[M+Na-2H]- 550.92237 191.7
[M]+ 529.94715 188.4
[M]- 529.94825 188.4
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.