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

20
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 137.0
[M+Na]+ 242.95210 147.6
[M-H]- 218.95560 138.3
[M+NH4]+ 237.99670 155.9
[M+K]+ 258.92604 142.3
[M+H-H2O]+ 202.96014 131.8
[M+HCOO]- 264.96108 141.8
[M+CH3COO]- 278.97673 149.3
[M+Na-2H]- 240.93755 141.7
[M]+ 219.96233 138.8
[M]- 219.96343 138.8
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