CID 7537492

Thieno[2,3-b]pyrazine-6-carbaldehyde

Structural Information

Molecular Formula
C7H4N2OS
SMILES
C1=CN=C2C(=N1)C=C(S2)C=O
InChI
InChI=1S/C7H4N2OS/c10-4-5-3-6-7(11-5)9-2-1-8-6/h1-4H
InChIKey
PDSFQJXYTQJKFG-UHFFFAOYSA-N
Compound name
thieno[2,3-b]pyrazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.00444 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01172 129.6
[M+Na]+ 186.99366 143.9
[M+NH4]+ 182.03826 139.1
[M+K]+ 202.96760 136.7
[M-H]- 162.99716 131.4
[M+Na-2H]- 184.97911 136.6
[M]+ 164.00389 132.6
[M]- 164.00499 132.6
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