CID 476280

Chembl2259770

Structural Information

Molecular Formula
C15H14N2O3S2
SMILES
C=CCN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C15H14N2O3S2/c1-2-8-16-13-10-21-11-14(13)22(19,20)17(15(16)18)9-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2
InChIKey
FQGQCZCSOQZSFB-UHFFFAOYSA-N
Compound name
2-benzyl-1,1-dioxo-4-prop-2-enylthieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05188 172.0
[M+Na]+ 357.03382 183.3
[M-H]- 333.03732 177.1
[M+NH4]+ 352.07842 189.0
[M+K]+ 373.00776 176.7
[M+H-H2O]+ 317.04186 166.0
[M+HCOO]- 379.04280 182.3
[M+CH3COO]- 393.05845 183.2
[M+Na-2H]- 355.01927 172.8
[M]+ 334.04405 176.4
[M]- 334.04515 176.4
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.