CID 9599293

4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H19BrN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br
InChI
InChI=1S/C26H19BrN2O3/c27-24-11-4-3-10-23(24)26(31)32-21-14-12-18(13-15-21)17-28-29-25(30)16-20-8-5-7-19-6-1-2-9-22(19)20/h1-15,17H,16H2,(H,29,30)/b28-17+
InChIKey
QXYQBHBHLGTVMP-OGLMXYFKSA-N
Compound name
[4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.05792 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06520 209.5
[M+Na]+ 509.04714 216.2
[M-H]- 485.05064 221.9
[M+NH4]+ 504.09174 220.4
[M+K]+ 525.02108 203.9
[M+H-H2O]+ 469.05518 204.3
[M+HCOO]- 531.05612 229.9
[M+CH3COO]- 545.07177 237.4
[M+Na-2H]- 507.03259 213.7
[M]+ 486.05737 228.5
[M]- 486.05847 228.5
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.