CID 210054

20887-01-8

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCOCC4
InChI
InChI=1S/C15H19N3O2S/c19-14-13-10-3-1-2-4-11(10)21-15(13)17-12(16-14)9-18-5-7-20-8-6-18/h1-9H2,(H,16,17,19)
InChIKey
JYDWJEICQVGGIR-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 167.5
[M+Na]+ 328.10902 180.5
[M+NH4]+ 323.15362 176.0
[M+K]+ 344.08296 173.4
[M-H]- 304.11252 171.6
[M+Na-2H]- 326.09447 171.4
[M]+ 305.11925 170.9
[M]- 305.12035 170.9
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.