CID 9652675

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

Structural Information

Molecular Formula
C21H15BrN2O4
SMILES
C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H15BrN2O4/c22-17-3-1-2-16(12-17)21(27)28-19-10-4-14(5-11-19)13-23-24-20(26)15-6-8-18(25)9-7-15/h1-13,25H,(H,24,26)/b23-13+
InChIKey
FJXVVHHMBUJDTG-YDZHTSKRSA-N
Compound name
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0215 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02878 189.9
[M+Na]+ 461.01072 193.6
[M+NH4]+ 456.05532 192.6
[M+K]+ 476.98466 192.7
[M-H]- 437.01422 193.9
[M+Na-2H]- 458.99617 195.7
[M]+ 438.02095 190.3
[M]- 438.02205 190.3
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.