CID 9633273

1-(2-((4-chlorophenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23ClN2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C28H23ClN2O6/c1-34-25-14-8-19(15-26(25)35-2)28(33)37-24-13-7-18-5-3-4-6-22(18)23(24)16-30-31-27(32)17-36-21-11-9-20(29)10-12-21/h3-16H,17H2,1-2H3,(H,31,32)/b30-16+
InChIKey
FOXNWZPLQUYMNI-OKCVXOCRSA-N
Compound name
[1-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.12445 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.13173 222.7
[M+Na]+ 541.11367 228.6
[M-H]- 517.11717 234.0
[M+NH4]+ 536.15827 229.7
[M+K]+ 557.08761 224.5
[M+H-H2O]+ 501.12171 211.1
[M+HCOO]- 563.12265 241.4
[M+CH3COO]- 577.13830 249.3
[M+Na-2H]- 539.09912 224.5
[M]+ 518.12390 232.1
[M]- 518.12500 232.1
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.