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 166.3
[M+Na]+ 328.10902 174.5
[M-H]- 304.11252 169.6
[M+NH4]+ 323.15362 179.7
[M+K]+ 344.08296 169.7
[M+H-H2O]+ 288.11706 158.3
[M+HCOO]- 350.11800 174.8
[M+CH3COO]- 364.13365 176.1
[M+Na-2H]- 326.09447 168.3
[M]+ 305.11925 164.8
[M]- 305.12035 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