CID 138987716

2305252-20-2

Structural Information

Molecular Formula
C7H8ClN3OS
SMILES
C1CC2=C(C(=NC=N2)Cl)S(=N)(=O)C1
InChI
InChI=1S/C7H8ClN3OS/c8-7-6-5(10-4-11-7)2-1-3-13(6,9)12/h4,9H,1-3H2
InChIKey
VABCFNIOSJTNGU-UHFFFAOYSA-N
Compound name
4-chloro-5-imino-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01494 137.5
[M+Na]+ 239.99688 148.4
[M-H]- 216.00038 139.7
[M+NH4]+ 235.04148 157.8
[M+K]+ 255.97082 143.5
[M+H-H2O]+ 200.00492 132.2
[M+HCOO]- 262.00586 149.0
[M+CH3COO]- 276.02151 150.4
[M+Na-2H]- 237.98233 145.0
[M]+ 217.00711 138.3
[M]- 217.00821 138.3
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.