CID 290212

4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
CC1=C(SC2=C1C(=NC=N2)Cl)C
InChI
InChI=1S/C8H7ClN2S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3
InChIKey
HYOBKTVPACQCBR-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
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 135.8
[M+Na]+ 220.99107 150.3
[M-H]- 196.99457 139.5
[M+NH4]+ 216.03567 158.1
[M+K]+ 236.96501 145.3
[M+H-H2O]+ 180.99911 130.8
[M+HCOO]- 243.00005 150.5
[M+CH3COO]- 257.01570 150.9
[M+Na-2H]- 218.97652 140.0
[M]+ 198.00130 142.8
[M]- 198.00240 142.8
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