CID 45054897

4-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C22H15BrCl2N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=C(C=C2)Cl)Cl)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C22H15BrCl2N2O4/c1-30-20-9-13(12-26-27-21(28)14-6-7-17(24)18(25)11-14)5-8-19(20)31-22(29)15-3-2-4-16(23)10-15/h2-12H,1H3,(H,27,28)/b26-12+
InChIKey
NTDACKASAABETI-RPPGKUMJSA-N
Compound name
[4-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.9592 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.96648 206.2
[M+Na]+ 542.94842 217.1
[M-H]- 518.95192 218.5
[M+NH4]+ 537.99302 217.6
[M+K]+ 558.92236 203.4
[M+H-H2O]+ 502.95646 203.1
[M+HCOO]- 564.95740 219.8
[M+CH3COO]- 578.97305 239.4
[M+Na-2H]- 540.93387 207.8
[M]+ 519.95865 231.4
[M]- 519.95975 231.4
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.