CID 9610819

4-(2-(4-(benzyloxy)benzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C29H23BrN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C29H23BrN2O5/c1-35-27-16-21(10-15-26(27)37-29(34)23-8-5-9-24(30)17-23)18-31-32-28(33)22-11-13-25(14-12-22)36-19-20-6-3-2-4-7-20/h2-18H,19H2,1H3,(H,32,33)/b31-18+
InChIKey
AELUVCWAZZMMAL-FDAWAROLSA-N
Compound name
[2-methoxy-4-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.07904 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.08632 225.9
[M+Na]+ 581.06826 231.2
[M-H]- 557.07176 240.2
[M+NH4]+ 576.11286 232.6
[M+K]+ 597.04220 220.4
[M+H-H2O]+ 541.07630 219.0
[M+HCOO]- 603.07724 246.8
[M+CH3COO]- 617.09289 249.0
[M+Na-2H]- 579.05371 227.5
[M]+ 558.07849 247.1
[M]- 558.07959 247.1
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.