CID 9599137

4-(2-(((3,4,5-trimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H24BrN3O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C26H24BrN3O7/c1-34-21-12-17(13-22(35-2)24(21)36-3)25(32)28-15-23(31)30-29-14-16-8-10-18(11-9-16)37-26(33)19-6-4-5-7-20(19)27/h4-14H,15H2,1-3H3,(H,28,32)(H,30,31)/b29-14+
InChIKey
VLZNSJFDHKSQLY-IPPBACCNSA-N
Compound name
[4-[(E)-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.0798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.08708 221.5
[M+Na]+ 592.06902 226.5
[M-H]- 568.07252 233.4
[M+NH4]+ 587.11362 228.0
[M+K]+ 608.04296 217.4
[M+H-H2O]+ 552.07706 214.4
[M+HCOO]- 614.07800 242.9
[M+CH3COO]- 628.09365 254.6
[M+Na-2H]- 590.05447 221.9
[M]+ 569.07925 245.5
[M]- 569.08035 245.5
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.