CID 13707809

4-chloro-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H7ClN2S
SMILES
C1CC2=C(C(=NC=N2)Cl)SC1
InChI
InChI=1S/C7H7ClN2S/c8-7-6-5(9-4-10-7)2-1-3-11-6/h4H,1-3H2
InChIKey
IHWHZUYYJJSKAF-UHFFFAOYSA-N
Compound name
4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00185 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00913 131.6
[M+Na]+ 208.99107 141.3
[M-H]- 184.99457 133.3
[M+NH4]+ 204.03567 151.3
[M+K]+ 224.96501 137.0
[M+H-H2O]+ 168.99911 125.7
[M+HCOO]- 231.00005 141.6
[M+CH3COO]- 245.01570 144.5
[M+Na-2H]- 206.97652 137.8
[M]+ 186.00130 132.3
[M]- 186.00240 132.3
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

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