CID 916176

4-chloro-6-ethylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CCC1=CC2=C(S1)N=CN=C2Cl
InChI
InChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3
InChIKey
IYTRSBKGPIDYHI-UHFFFAOYSA-N
Compound name
4-chloro-6-ethylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

198.00185 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00913 135.9
[M+Na]+ 220.99107 149.5
[M-H]- 196.99457 139.1
[M+NH4]+ 216.03567 157.8
[M+K]+ 236.96501 144.5
[M+H-H2O]+ 180.99911 130.5
[M+HCOO]- 243.00005 150.6
[M+CH3COO]- 257.01570 150.6
[M+Na-2H]- 218.97652 140.8
[M]+ 198.00130 142.4
[M]- 198.00240 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe