CID 9688632

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

Structural Information

Molecular Formula
C22H17BrN2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C22H17BrN2O6/c1-30-20-9-13(12-24-25-21(28)17-7-6-16(26)11-18(17)27)5-8-19(20)31-22(29)14-3-2-4-15(23)10-14/h2-12,26-27H,1H3,(H,25,28)/b24-12+
InChIKey
DMUUXIXPRKFCAJ-WYMPLXKRSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.027 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.03428 201.4
[M+Na]+ 507.01622 208.7
[M-H]- 483.01972 211.7
[M+NH4]+ 502.06082 210.7
[M+K]+ 522.99016 197.8
[M+H-H2O]+ 467.02426 196.4
[M+HCOO]- 529.02520 221.1
[M+CH3COO]- 543.04085 233.3
[M+Na-2H]- 505.00167 203.1
[M]+ 484.02645 221.8
[M]- 484.02755 221.8
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.