CID 51060191

1-(2-((3,4-dimethylphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C28H23ClN2O4
SMILES
CC1=C(C=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C28H23ClN2O4/c1-18-7-13-23(15-19(18)2)34-17-27(32)31-30-16-25-24-6-4-3-5-20(24)10-14-26(25)35-28(33)21-8-11-22(29)12-9-21/h3-16H,17H2,1-2H3,(H,31,32)/b30-16+
InChIKey
ZRLDIXXAVBHQSS-OKCVXOCRSA-N
Compound name
[1-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.13464 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14192 218.2
[M+Na]+ 509.12386 234.3
[M+NH4]+ 504.16846 225.2
[M+K]+ 525.09780 224.1
[M-H]- 485.12736 226.1
[M+Na-2H]- 507.10931 227.7
[M]+ 486.13409 223.2
[M]- 486.13519 223.2
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.