CID 43417358

3-(2-hydroxyethyl)-3h,4h-thieno[3,2-d]pyrimidin-4-one

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1=CSC2=C1N=CN(C2=O)CCO
InChI
InChI=1S/C8H8N2O2S/c11-3-2-10-5-9-6-1-4-13-7(6)8(10)12/h1,4-5,11H,2-3H2
InChIKey
IHIQFJGZEZXVNG-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03065 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 136.4
[M+Na]+ 219.01987 148.9
[M-H]- 195.02337 138.5
[M+NH4]+ 214.06447 156.7
[M+K]+ 234.99381 144.9
[M+H-H2O]+ 179.02791 130.6
[M+HCOO]- 241.02885 155.0
[M+CH3COO]- 255.04450 150.6
[M+Na-2H]- 217.00532 141.6
[M]+ 196.03010 141.6
[M]- 196.03120 141.6
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

No patent data available for this compound.