CID 12712834

2,4-dichlorothieno[3,4-d]pyrimidine

Structural Information

Molecular Formula
C6H2Cl2N2S
SMILES
C1=C2C(=CS1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H2Cl2N2S/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H
InChIKey
FUFRGBBMQQJFMJ-UHFFFAOYSA-N
Compound name
2,4-dichlorothieno[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

203.93158 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.938856 133.1
[M+Na]+ 226.920798 147.5
[M-H]- 202.924304 135.9
[M+NH4]+ 221.965403 154.9
[M+K]+ 242.894738 142.1
[M+H-H2O]+ 186.928840 128.5
[M+HCOO]- 248.929781 143.1
[M+CH3COO]- 262.945431 147.7
[M+Na-2H]- 224.906246 138.1
[M]+ 203.93103142 139.5
[M]- 203.93212858 139.5
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