CID 3129010

337349-93-6

Structural Information

Molecular Formula
C19H20N2OS2
SMILES
CCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CCCC4
InChI
InChI=1S/C19H20N2OS2/c1-2-21-18(22)16-14-10-6-7-11-15(14)24-17(16)20-19(21)23-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKey
PJOXNMQLOGDDBY-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1017 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10898 177.7
[M+Na]+ 379.09092 193.1
[M+NH4]+ 374.13552 187.8
[M+K]+ 395.06486 181.5
[M-H]- 355.09442 183.0
[M+Na-2H]- 377.07637 184.5
[M]+ 356.10115 182.6
[M]- 356.10225 182.6
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.