CID 12724268

2,4-dichloro-6-methylthieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
CC1=CC2=C(S1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4/h2H,1H3
InChIKey
ZDKZDOFEASCBMV-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

217.94722 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95450 137.7
[M+Na]+ 240.93644 152.5
[M-H]- 216.93994 140.7
[M+NH4]+ 235.98104 159.3
[M+K]+ 256.91038 146.8
[M+H-H2O]+ 200.94448 133.2
[M+HCOO]- 262.94542 147.4
[M+CH3COO]- 276.96107 152.2
[M+Na-2H]- 238.92189 141.5
[M]+ 217.94667 144.9
[M]- 217.94777 144.9
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