CID 135519034

5719-23-3

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CC1=NC2=C(CSC2)C(=O)N1
InChI
InChI=1S/C7H8N2OS/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKey
XBDCXZUSBJYHEP-UHFFFAOYSA-N
Compound name
2-methyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.7
[M+Na]+ 191.02496 144.9
[M+NH4]+ 186.06956 141.7
[M+K]+ 206.99890 138.7
[M-H]- 167.02846 133.6
[M+Na-2H]- 189.01041 137.1
[M]+ 168.03519 135.0
[M]- 168.03629 135.0
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

No patent data available for this compound.