CID 51060460

2-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-4-bromophenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C31H27BrN2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H27BrN2O6/c1-20(39-26-13-9-22(10-14-26)21-7-5-4-6-8-21)30(35)34-33-19-24-17-25(32)12-16-27(24)40-31(36)23-11-15-28(37-2)29(18-23)38-3/h4-20H,1-3H3,(H,34,35)/b33-19+
InChIKey
MFHOQXONPAWUCO-HNSNBQBZSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.1052 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.11248 236.5
[M+Na]+ 625.09442 240.9
[M-H]- 601.09792 250.7
[M+NH4]+ 620.13902 241.4
[M+K]+ 641.06836 231.4
[M+H-H2O]+ 585.10246 229.1
[M+HCOO]- 647.10340 255.8
[M+CH3COO]- 661.11905 258.3
[M+Na-2H]- 623.07987 235.6
[M]+ 602.10465 259.3
[M]- 602.10575 259.3
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.