CID 15619273

Thieno[3,4-b]pyrazine

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=NC2=CSC=C2N=C1
InChI
InChI=1S/C6H4N2S/c1-2-8-6-4-9-3-5(6)7-1/h1-4H
InChIKey
CZDVJGBXKADLCY-UHFFFAOYSA-N
Compound name
thieno[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

561
Patents

136.00952 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.016796 120.2
[M+Na]+ 158.998738 132.5
[M-H]- 135.002244 123.4
[M+NH4]+ 154.043343 143.3
[M+K]+ 174.972678 129.7
[M+H-H2O]+ 119.006780 114.4
[M+HCOO]- 181.007721 140.5
[M+CH3COO]- 195.023371 135.7
[M+Na-2H]- 156.984186 128.1
[M]+ 136.00897142 123.7
[M]- 136.01006858 123.7
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

patents stripe