CID 9635652

769147-48-0

Structural Information

Molecular Formula
C23H17BrClN3O5
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17BrClN3O5/c1-32-19-9-7-18(8-10-19)27-21(29)22(30)28-26-13-15-12-16(24)4-11-20(15)33-23(31)14-2-5-17(25)6-3-14/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
LUJRSMGBXQBWRP-LGJNPRDNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.004 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.01128 208.7
[M+Na]+ 551.99322 211.8
[M+NH4]+ 547.03782 210.3
[M+K]+ 567.96716 210.9
[M-H]- 527.99672 212.5
[M+Na-2H]- 549.97867 213.2
[M]+ 529.00345 209.1
[M]- 529.00455 209.1
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.