CID 9607845

4-bromo-2-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H25BrN2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H25BrN2O6/c1-4-13-34-21-9-5-17(6-10-21)26(31)35-22-12-8-20(27)14-19(22)16-28-29-25(30)18-7-11-23(32-2)24(15-18)33-3/h5-12,14-16H,4,13H2,1-3H3,(H,29,30)/b28-16+
InChIKey
HTGGPMSTYSHVQS-LQKURTRISA-N
Compound name
[4-bromo-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0896 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.09688 216.7
[M+Na]+ 563.07882 219.6
[M+NH4]+ 558.12342 217.8
[M+K]+ 579.05276 218.5
[M-H]- 539.08232 220.1
[M+Na-2H]- 561.06427 220.4
[M]+ 540.08905 216.7
[M]- 540.09015 216.7
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.