CID 2060046

476486-26-7

Structural Information

Molecular Formula
C24H18Cl3N3O2S2
SMILES
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)NC5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H18Cl3N3O2S2/c25-13-5-8-15(9-6-13)30-23(32)21-16-3-1-2-4-19(16)34-22(21)29-24(30)33-12-20(31)28-18-10-7-14(26)11-17(18)27/h5-11H,1-4,12H2,(H,28,31)
InChIKey
WMYZJABHZKBWDX-UHFFFAOYSA-N
Compound name
2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.9906 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.99788 222.4
[M+Na]+ 571.97982 239.6
[M+NH4]+ 567.02442 231.0
[M+K]+ 587.95376 226.3
[M-H]- 547.98332 228.9
[M+Na-2H]- 569.96527 229.4
[M]+ 548.99005 228.6
[M]- 548.99115 228.6
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.