CID 45054836

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

Structural Information

Molecular Formula
C21H14Br2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)Br)Br
InChI
InChI=1S/C21H14Br2N2O3/c22-16-5-3-4-15(12-16)20(26)25-24-13-14-8-10-17(11-9-14)28-21(27)18-6-1-2-7-19(18)23/h1-13H,(H,25,26)/b24-13+
InChIKey
KKMYPYTZFVVOIG-ZMOGYAJESA-N
Compound name
[4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.93713 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.94441 183.7
[M+Na]+ 522.92635 179.3
[M+NH4]+ 517.97095 184.6
[M+K]+ 538.90029 184.3
[M-H]- 498.92985 186.9
[M+Na-2H]- 520.91180 186.7
[M]+ 499.93658 182.9
[M]- 499.93768 182.9
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.