CID 476284

4-(o-chlorobenzyl)-2-methyl-1,1,3-trioxo-2h,4h-thieno[3,4-e][1,2,4]-thiadiazine

Structural Information

Molecular Formula
C13H11ClN2O3S2
SMILES
CN1C(=O)N(C2=CSC=C2S1(=O)=O)CC3=CC=CC=C3Cl
InChI
InChI=1S/C13H11ClN2O3S2/c1-15-13(17)16(6-9-4-2-3-5-10(9)14)11-7-20-8-12(11)21(15,18)19/h2-5,7-8H,6H2,1H3
InChIKey
RCHDPPQZAGGBCA-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methyl]-2-methyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.98996 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.99724 169.4
[M+Na]+ 364.97918 182.4
[M-H]- 340.98268 175.3
[M+NH4]+ 360.02378 187.3
[M+K]+ 380.95312 175.8
[M+H-H2O]+ 324.98722 164.7
[M+HCOO]- 386.98816 175.6
[M+CH3COO]- 401.00381 181.2
[M+Na-2H]- 362.96463 170.1
[M]+ 341.98941 175.9
[M]- 341.99051 175.9
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.