CID 471974

Qm96215

Structural Information

Molecular Formula
C14H14N2O3S2
SMILES
CCN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N2O3S2/c1-2-15-12-9-20-10-13(12)21(18,19)16(14(15)17)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKey
MSXIOFNEHSXSRR-UHFFFAOYSA-N
Compound name
2-benzyl-4-ethyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.0446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05188 168.2
[M+Na]+ 345.03382 179.7
[M-H]- 321.03732 173.5
[M+NH4]+ 340.07842 185.8
[M+K]+ 361.00776 173.9
[M+H-H2O]+ 305.04186 162.3
[M+HCOO]- 367.04280 178.7
[M+CH3COO]- 381.05845 179.8
[M+Na-2H]- 343.01927 169.4
[M]+ 322.04405 172.9
[M]- 322.04515 172.9
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.