CID 51060326

4-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C27H20BrClN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C27H20BrClN2O5/c1-34-24-14-17(10-12-22(24)36-27(33)20-8-4-5-9-21(20)29)15-30-31-25(32)16-35-23-13-11-18-6-2-3-7-19(18)26(23)28/h2-15H,16H2,1H3,(H,31,32)/b30-15+
InChIKey
HFQVPQZRPIGIQK-FJEPWZHXSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.0244 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.03168 223.5
[M+Na]+ 589.01362 231.8
[M-H]- 565.01712 236.4
[M+NH4]+ 584.05822 232.7
[M+K]+ 604.98756 219.9
[M+H-H2O]+ 549.02166 218.5
[M+HCOO]- 611.02260 239.6
[M+CH3COO]- 625.03825 249.5
[M+Na-2H]- 586.99907 226.1
[M]+ 566.02385 248.7
[M]- 566.02495 248.7
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.