CID 24698629

2247105-54-8

Structural Information

Molecular Formula
C8H9N3OS
SMILES
C1=CSC2=C1C(=O)N(C=N2)CCN
InChI
InChI=1S/C8H9N3OS/c9-2-3-11-5-10-7-6(8(11)12)1-4-13-7/h1,4-5H,2-3,9H2
InChIKey
RMFGOKHODWOEEE-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 137.9
[M+Na]+ 218.03585 150.7
[M+NH4]+ 213.08045 146.5
[M+K]+ 234.00979 144.2
[M-H]- 194.03935 139.7
[M+Na-2H]- 216.02130 143.8
[M]+ 195.04608 140.6
[M]- 195.04718 140.6
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.