CID 15895119

2,4-dichloro-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2S
SMILES
C1CSCC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H6Cl2N2S/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2
InChIKey
IHJDGIDSEZWIQT-UHFFFAOYSA-N
Compound name
2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.96288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97016 140.3
[M+Na]+ 242.95210 155.9
[M+NH4]+ 237.99670 151.0
[M+K]+ 258.92604 145.4
[M-H]- 218.95560 143.1
[M+Na-2H]- 240.93755 147.1
[M]+ 219.96233 144.5
[M]- 219.96343 144.5
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