CID 483531

3-(2-hydroxyethoxymethyl)-2,2-dioxo-6-phenyl-1h-thieno[3,2-c][1,2,6]thiadiazin-4-one

Structural Information

Molecular Formula
C14H14N2O5S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(S(=O)(=O)N3)COCCO
InChI
InChI=1S/C14H14N2O5S2/c17-6-7-21-9-16-14(18)13-11(15-23(16,19)20)8-12(22-13)10-4-2-1-3-5-10/h1-5,8,15,17H,6-7,9H2
InChIKey
MARXZQXHTJIZBS-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-2,2-dioxo-6-phenyl-1H-thieno[3,2-c][1,2,6]thiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.03442 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04170 173.7
[M+Na]+ 377.02364 183.4
[M-H]- 353.02714 176.0
[M+NH4]+ 372.06824 188.2
[M+K]+ 392.99758 177.2
[M+H-H2O]+ 337.03168 168.3
[M+HCOO]- 399.03262 181.6
[M+CH3COO]- 413.04827 183.4
[M+Na-2H]- 375.00909 175.4
[M]+ 354.03387 177.8
[M]- 354.03497 177.8
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.