CID 9687827

4-br-2-(2-((4-bromoanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H17Br2N3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H17Br2N3O5/c1-32-19-9-2-14(3-10-19)23(31)33-20-11-6-17(25)12-15(20)13-26-28-22(30)21(29)27-18-7-4-16(24)5-8-18/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
NXFFIXKDAJGEFL-LGJNPRDNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.9535 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.96078 201.5
[M+Na]+ 595.94272 206.1
[M-H]- 571.94622 212.2
[M+NH4]+ 590.98732 209.8
[M+K]+ 611.91666 191.7
[M+H-H2O]+ 555.95076 203.5
[M+HCOO]- 617.95170 217.5
[M+CH3COO]- 631.96735 247.0
[M+Na-2H]- 593.92817 203.0
[M]+ 572.95295 236.0
[M]- 572.95405 236.0
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.