CID 9638708

4-bromo-2-(2-(2-hydroxybenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C24H21BrN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C24H21BrN2O5/c1-2-13-31-19-10-7-16(8-11-19)24(30)32-22-12-9-18(25)14-17(22)15-26-27-23(29)20-5-3-4-6-21(20)28/h3-12,14-15,28H,2,13H2,1H3,(H,27,29)/b26-15+
InChIKey
GUZBJSXYLCXHJB-CVKSISIWSA-N
Compound name
[4-bromo-2-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.0634 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.07068 208.1
[M+Na]+ 519.05262 214.6
[M-H]- 495.05612 219.1
[M+NH4]+ 514.09722 217.5
[M+K]+ 535.02656 203.2
[M+H-H2O]+ 479.06066 202.8
[M+HCOO]- 541.06160 228.6
[M+CH3COO]- 555.07725 237.2
[M+Na-2H]- 517.03807 209.8
[M]+ 496.06285 229.2
[M]- 496.06395 229.2
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.