CID 11106847

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

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
CC1=CC2=C(S1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-4-5(8)10-7(9)11-6(4)12-3/h2H,1H3
InChIKey
BTGNDWIMNVJZJY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

217.94722 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.954496 137.7
[M+Na]+ 240.936438 152.5
[M-H]- 216.939944 140.7
[M+NH4]+ 235.981043 159.3
[M+K]+ 256.910378 146.8
[M+H-H2O]+ 200.944480 133.2
[M+HCOO]- 262.945421 147.4
[M+CH3COO]- 276.961071 152.2
[M+Na-2H]- 238.921886 141.5
[M]+ 217.94667142 144.9
[M]- 217.94776858 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