CID 146147273

6-chlorothieno[3,2-d]pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C6H3ClN2O2S
SMILES
C1=C(SC2=C1NC(=O)NC2=O)Cl
InChI
InChI=1S/C6H3ClN2O2S/c7-3-1-2-4(12-3)5(10)9-6(11)8-2/h1H,(H2,8,9,10,11)
InChIKey
HPSUFUQFMZMIGE-UHFFFAOYSA-N
Compound name
6-chloro-1H-thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.96037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96765 133.4
[M+Na]+ 224.94959 147.9
[M-H]- 200.95309 134.6
[M+NH4]+ 219.99419 153.7
[M+K]+ 240.92353 141.4
[M+H-H2O]+ 184.95763 129.3
[M+HCOO]- 246.95857 146.5
[M+CH3COO]- 260.97422 147.6
[M+Na-2H]- 222.93504 137.9
[M]+ 201.95982 137.4
[M]- 201.96092 137.4
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

No patent data available for this compound.