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

1
Patents

305.1198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.127076 166.3
[M+Na]+ 328.109018 174.5
[M-H]- 304.112524 169.6
[M+NH4]+ 323.153623 179.7
[M+K]+ 344.082958 169.7
[M+H-H2O]+ 288.117060 158.3
[M+HCOO]- 350.118001 174.8
[M+CH3COO]- 364.133651 176.1
[M+Na-2H]- 326.094466 168.3
[M]+ 305.11925142 164.8
[M]- 305.12034858 164.8
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