CID 9626283

4-bromo-2-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C21H15BrN2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C21H15BrN2O5/c22-15-6-9-19(29-21(28)13-4-2-1-3-5-13)14(10-15)12-23-24-20(27)17-8-7-16(25)11-18(17)26/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
FLFSFXVMWDYGPN-FSJBWODESA-N
Compound name
[4-bromo-2-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.01642 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.02370 195.0
[M+Na]+ 477.00564 202.4
[M-H]- 453.00914 205.3
[M+NH4]+ 472.05024 205.4
[M+K]+ 492.97958 190.7
[M+H-H2O]+ 437.01368 190.5
[M+HCOO]- 499.01462 215.1
[M+CH3COO]- 513.03027 227.1
[M+Na-2H]- 474.99109 197.8
[M]+ 454.01587 213.6
[M]- 454.01697 213.6
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.