CID 12225260

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

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CCC1=NC2=C(C=CS2)C(=N1)Cl
InChI
InChI=1S/C8H7ClN2S/c1-2-6-10-7(9)5-3-4-12-8(5)11-6/h3-4H,2H2,1H3
InChIKey
PKCDEKLEICRQKQ-UHFFFAOYSA-N
Compound name
4-chloro-2-ethylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe