CID 89487319

1429639-82-6

Structural Information

Molecular Formula
C7H6Cl2N2O2S
SMILES
CC1C2=C(CS1(=O)=O)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2S/c1-3-5-4(2-14(3,12)13)6(8)11-7(9)10-5/h3H,2H2,1H3
InChIKey
QSLVSKKWSJSWMO-UHFFFAOYSA-N
Compound name
2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.9527 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95998 147.7
[M+Na]+ 274.94192 162.0
[M+NH4]+ 269.98652 157.7
[M+K]+ 290.91586 153.1
[M-H]- 250.94542 148.2
[M+Na-2H]- 272.92737 153.3
[M]+ 251.95215 151.0
[M]- 251.95325 151.0
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

No patent data available for this compound.