CID 9622881

4-(2-(2-(4-(benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)-2-meo-ph 3-br-benzoate

Structural Information

Molecular Formula
C31H27BrN2O6
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C31H27BrN2O6/c1-21(39-27-14-12-26(13-15-27)38-20-22-7-4-3-5-8-22)30(35)34-33-19-23-11-16-28(29(17-23)37-2)40-31(36)24-9-6-10-25(32)18-24/h3-19,21H,20H2,1-2H3,(H,34,35)/b33-19+
InChIKey
VJMOBGLUDSZMRC-HNSNBQBZSA-N
Compound name
[2-methoxy-4-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.1052 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.11248 236.1
[M+Na]+ 625.09442 239.7
[M-H]- 601.09792 249.9
[M+NH4]+ 620.13902 240.7
[M+K]+ 641.06836 230.1
[M+H-H2O]+ 585.10246 228.6
[M+HCOO]- 647.10340 255.4
[M+CH3COO]- 661.11905 257.0
[M+Na-2H]- 623.07987 235.9
[M]+ 602.10465 258.5
[M]- 602.10575 258.5
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.