CID 597791

Thieno[3,4-b]pyrazine-2,3(1h,4h)-dione

Structural Information

Molecular Formula
C6H4N2O2S
SMILES
C1=C2C(=CS1)NC(=O)C(=O)N2
InChI
InChI=1S/C6H4N2O2S/c9-5-6(10)8-4-2-11-1-3(4)7-5/h1-2H,(H,7,9)(H,8,10)
InChIKey
SAUUUBBWGLSMPW-UHFFFAOYSA-N
Compound name
1,4-dihydrothieno[3,4-b]pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.99934 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.006616 127.6
[M+Na]+ 190.988558 140.8
[M-H]- 166.992064 128.6
[M+NH4]+ 186.033163 148.2
[M+K]+ 206.962498 135.8
[M+H-H2O]+ 150.996600 122.6
[M+HCOO]- 212.997541 145.5
[M+CH3COO]- 227.013191 142.0
[M+Na-2H]- 188.974006 133.3
[M]+ 167.99879142 129.6
[M]- 167.99988858 129.6
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

patents stripe