CID 6450244

Zilantel

Structural Information

Molecular Formula
C26H38N2O6P2S4
SMILES
CCOP(=O)(/N=C(\SCCS/C(=N/P(=O)(OCC)OCC)/SCC1=CC=CC=C1)/SCC2=CC=CC=C2)OCC
InChI
InChI=1S/C26H38N2O6P2S4/c1-5-31-35(29,32-6-2)27-25(39-21-23-15-11-9-12-16-23)37-19-20-38-26(28-36(30,33-7-3)34-8-4)40-22-24-17-13-10-14-18-24/h9-18H,5-8,19-22H2,1-4H3/b27-25-,28-26+
InChIKey
CZPAAISSUBSIDF-ZQZMJUSDSA-N
Compound name
(E)-1-benzylsulfanyl-1-[2-[(Z)-C-benzylsulfanyl-N-diethoxyphosphorylcarbonimidoyl]sulfanylethylsulfanyl]-N-diethoxyphosphorylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.1088 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.11608 237.3
[M+Na]+ 687.09802 234.2
[M-H]- 663.10152 237.7
[M+NH4]+ 682.14262 238.2
[M+K]+ 703.07196 226.4
[M+H-H2O]+ 647.10606 220.4
[M+HCOO]- 709.10700 249.4
[M+CH3COO]- 723.12265 264.7
[M+Na-2H]- 685.08347 237.7
[M]+ 664.10825 242.5
[M]- 664.10935 242.5
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.