CID 28849146

6-ethylthieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
CCC1=CC2=C(N=CN=C2S1)N
InChI
InChI=1S/C8H9N3S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKey
SATHMKUMJANYIM-UHFFFAOYSA-N
Compound name
6-ethylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 133.4
[M+Na]+ 202.040928 145.6
[M-H]- 178.044434 136.3
[M+NH4]+ 197.085533 154.7
[M+K]+ 218.014868 141.5
[M+H-H2O]+ 162.048970 127.2
[M+HCOO]- 224.049911 153.2
[M+CH3COO]- 238.065561 147.8
[M+Na-2H]- 200.026376 138.6
[M]+ 179.05116142 136.6
[M]- 179.05225858 136.6
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

patents stripe