CID 403053

5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=C(SC2=C1C(=O)NC=N2)C
InChI
InChI=1S/C8H8N2OS/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)
InChIKey
QAFMGDDXMIKGEY-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

51
Patents

180.03574 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 135.3
[M+Na]+ 203.02496 149.5
[M+NH4]+ 198.06956 144.2
[M+K]+ 218.99890 142.8
[M-H]- 179.02846 136.6
[M+Na-2H]- 201.01041 140.9
[M]+ 180.03519 138.2
[M]- 180.03629 138.2
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

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