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

9
Patents

179.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 133.4
[M+Na]+ 202.04093 145.6
[M-H]- 178.04443 136.3
[M+NH4]+ 197.08553 154.7
[M+K]+ 218.01487 141.5
[M+H-H2O]+ 162.04897 127.2
[M+HCOO]- 224.04991 153.2
[M+CH3COO]- 238.06556 147.8
[M+Na-2H]- 200.02638 138.6
[M]+ 179.05116 136.6
[M]- 179.05226 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