CID 9635053

2-methoxy-4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 3,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H20Cl2N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H20Cl2N2O4/c1-34-25-13-17(9-12-24(25)35-27(33)20-10-11-22(28)23(29)14-20)16-30-31-26(32)15-19-7-4-6-18-5-2-3-8-21(18)19/h2-14,16H,15H2,1H3,(H,31,32)/b30-16+
InChIKey
OLGQGTFMEBTQEF-OKCVXOCRSA-N
Compound name
[2-methoxy-4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.08002 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.08730 219.4
[M+Na]+ 529.06924 236.1
[M+NH4]+ 524.11384 226.5
[M+K]+ 545.04318 225.3
[M-H]- 505.07274 227.0
[M+Na-2H]- 527.05469 228.8
[M]+ 506.07947 224.7
[M]- 506.08057 224.7
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.