CID 15958454

3-benzyl-1-[(3,4-dichlorophenyl)methyl]-2,2-dioxo-thieno[3,2-c][1,2,6]thiadiazin-4-one

Structural Information

Molecular Formula
C19H14Cl2N2O3S2
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N(S2(=O)=O)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H14Cl2N2O3S2/c20-15-7-6-14(10-16(15)21)12-22-17-8-9-27-18(17)19(24)23(28(22,25)26)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKey
GOONJPYCSDJBAF-UHFFFAOYSA-N
Compound name
3-benzyl-1-[(3,4-dichlorophenyl)methyl]-2,2-dioxothieno[3,2-c][1,2,6]thiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.9823 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.98958 196.3
[M+Na]+ 474.97152 209.0
[M-H]- 450.97502 204.6
[M+NH4]+ 470.01612 210.0
[M+K]+ 490.94546 200.7
[M+H-H2O]+ 434.97956 190.4
[M+HCOO]- 496.98050 197.3
[M+CH3COO]- 510.99615 206.1
[M+Na-2H]- 472.95697 195.5
[M]+ 451.98175 203.9
[M]- 451.98285 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.