CID 9639447

4-bromo-2-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C26H19BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C26H19BrN2O5/c1-33-21-9-6-16(7-10-21)26(32)34-24-11-8-20(27)12-19(24)15-28-29-25(31)22-13-17-4-2-3-5-18(17)14-23(22)30/h2-15,30H,1H3,(H,29,31)/b28-15+
InChIKey
PWKLSDCLFXFYJH-RWPZCVJISA-N
Compound name
[4-bromo-2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.0477 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.05498 214.2
[M+Na]+ 541.03692 221.2
[M-H]- 517.04042 225.9
[M+NH4]+ 536.08152 223.4
[M+K]+ 557.01086 210.2
[M+H-H2O]+ 501.04496 208.7
[M+HCOO]- 563.04590 233.3
[M+CH3COO]- 577.06155 242.0
[M+Na-2H]- 539.02237 217.0
[M]+ 518.04715 234.8
[M]- 518.04825 234.8
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.