CID 135600413

2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(1h)-one

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CNCC1=NC2=C(C(=O)N1)SC=C2
InChI
InChI=1S/C8H9N3OS/c1-9-4-6-10-5-2-3-13-7(5)8(12)11-6/h2-3,9H,4H2,1H3,(H,10,11,12)
InChIKey
VAKLVFWIPXBEGM-UHFFFAOYSA-N
Compound name
2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.04663 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 136.4
[M+Na]+ 218.035848 148.1
[M-H]- 194.039354 138.3
[M+NH4]+ 213.080453 156.4
[M+K]+ 234.009788 143.4
[M+H-H2O]+ 178.043890 130.3
[M+HCOO]- 240.044831 155.7
[M+CH3COO]- 254.060481 150.2
[M+Na-2H]- 216.021296 142.2
[M]+ 195.04608142 139.4
[M]- 195.04717858 139.4
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