CID 51060330

1-(2-((3-methylphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H21ClN2O4
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H21ClN2O4/c1-18-5-4-7-22(15-18)33-17-26(31)30-29-16-24-23-8-3-2-6-19(23)11-14-25(24)34-27(32)20-9-12-21(28)13-10-20/h2-16H,17H2,1H3,(H,30,31)/b29-16+
InChIKey
MBVJIXIPJFWYGX-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.119 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12628 213.7
[M+Na]+ 495.10822 229.6
[M+NH4]+ 490.15282 220.7
[M+K]+ 511.08216 219.4
[M-H]- 471.11172 221.5
[M+Na-2H]- 493.09367 223.6
[M]+ 472.11845 218.5
[M]- 472.11955 218.5
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.