CID 9661631

4-(2-((4-ethoxyanilino)(oxo)ac)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C25H22BrN3O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C25H22BrN3O6/c1-3-34-20-10-8-19(9-11-20)28-23(30)24(31)29-27-15-16-7-12-21(22(13-16)33-2)35-25(32)17-5-4-6-18(26)14-17/h4-15H,3H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
InChIKey
KBYFGMFWIOCJRJ-JFLMPSFJSA-N
Compound name
[4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.0692 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.07648 215.9
[M+Na]+ 562.05842 221.0
[M-H]- 538.06192 227.7
[M+NH4]+ 557.10302 223.5
[M+K]+ 578.03236 211.0
[M+H-H2O]+ 522.06646 209.2
[M+HCOO]- 584.06740 237.5
[M+CH3COO]- 598.08305 248.0
[M+Na-2H]- 560.04387 217.1
[M]+ 539.06865 237.9
[M]- 539.06975 237.9
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.