CID 9624377

4-br-2-(2-(((4-propoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C26H23BrClN3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C26H23BrClN3O5/c1-2-13-35-20-10-7-17(8-11-20)25(33)29-16-24(32)31-30-15-18-14-19(27)9-12-23(18)36-26(34)21-5-3-4-6-22(21)28/h3-12,14-15H,2,13,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
InChIKey
WFCOEOJKYSSGFY-FJEPWZHXSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.05096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.05824 223.5
[M+Na]+ 594.04018 229.7
[M-H]- 570.04368 235.2
[M+NH4]+ 589.08478 231.1
[M+K]+ 610.01412 217.1
[M+H-H2O]+ 554.04822 218.0
[M+HCOO]- 616.04916 240.7
[M+CH3COO]- 630.06481 252.2
[M+Na-2H]- 592.02563 223.9
[M]+ 571.05041 247.4
[M]- 571.05151 247.4
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.