CID 476271

2-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-4h-thieno[3,4-e][1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C14H14N2O5S2
SMILES
COC1=CC(=C(C=C1)CN2C(=O)NC3=CSC=C3S2(=O)=O)OC
InChI
InChI=1S/C14H14N2O5S2/c1-20-10-4-3-9(12(5-10)21-2)6-16-14(17)15-11-7-22-8-13(11)23(16,18)19/h3-5,7-8H,6H2,1-2H3,(H,15,17)
InChIKey
DILDHHBPFTVJLP-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-4H-thieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.03442 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04170 173.8
[M+Na]+ 377.02364 184.7
[M-H]- 353.02714 177.8
[M+NH4]+ 372.06824 189.3
[M+K]+ 392.99758 179.3
[M+H-H2O]+ 337.03168 168.4
[M+HCOO]- 399.03262 183.1
[M+CH3COO]- 413.04827 205.1
[M+Na-2H]- 375.00909 175.1
[M]+ 354.03387 180.0
[M]- 354.03497 180.0
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.