CID 12225299

2,4-dichloro-5-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
CC1=CSC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-12-6-4(3)5(8)10-7(9)11-6/h2H,1H3
InChIKey
OIJVRHXVISHQPS-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

217.94722 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95450 140.8
[M+Na]+ 240.93644 157.4
[M+NH4]+ 235.98104 151.2
[M+K]+ 256.91038 148.5
[M-H]- 216.93994 143.2
[M+Na-2H]- 238.92189 147.7
[M]+ 217.94667 145.0
[M]- 217.94777 145.0
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