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 218.7
[M+Na]+ 509.12386 225.2
[M-H]- 485.12736 229.9
[M+NH4]+ 504.16846 227.3
[M+K]+ 525.09780 219.2
[M+H-H2O]+ 469.13190 207.5
[M+HCOO]- 531.13284 237.1
[M+CH3COO]- 545.14849 244.9
[M+Na-2H]- 507.10931 219.9
[M]+ 486.13409 225.4
[M]- 486.13519 225.4
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.