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]+ 196.05391 136.4
[M+Na]+ 218.03585 148.1
[M-H]- 194.03935 138.3
[M+NH4]+ 213.08045 156.4
[M+K]+ 234.00979 143.4
[M+H-H2O]+ 178.04389 130.3
[M+HCOO]- 240.04483 155.7
[M+CH3COO]- 254.06048 150.2
[M+Na-2H]- 216.02130 142.2
[M]+ 195.04608 139.4
[M]- 195.04718 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