CID 9633802

1-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H19Cl2N3O2S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H19Cl2N3O2S/c1-16-5-4-7-19(13-16)30-26(34)31-29-15-22-20-8-3-2-6-17(20)9-12-24(22)33-25(32)21-11-10-18(27)14-23(21)28/h2-15H,1H3,(H2,30,31,34)/b29-15+
InChIKey
ONWZNSQGPBDEDQ-WKULSOCRSA-N
Compound name
[1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.0575 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.06478 219.3
[M+Na]+ 530.04672 235.3
[M+NH4]+ 525.09132 227.5
[M+K]+ 546.02066 222.3
[M-H]- 506.05022 228.1
[M+Na-2H]- 528.03217 229.4
[M]+ 507.05695 225.3
[M]- 507.05805 225.3
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.