CID 210052

20886-96-8

Structural Information

Molecular Formula
C16H21N3OS
SMILES
C1CCN(CC1)CC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI
InChI=1S/C16H21N3OS/c20-15-14-11-6-2-3-7-12(11)21-16(14)18-13(17-15)10-19-8-4-1-5-9-19/h1-10H2,(H,17,18,20)
InChIKey
IWVIFYLUTNWQIY-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.14053 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 168.3
[M+Na]+ 326.12975 181.1
[M+NH4]+ 321.17435 177.3
[M+K]+ 342.10369 173.0
[M-H]- 302.13325 171.5
[M+Na-2H]- 324.11520 173.0
[M]+ 303.13998 171.4
[M]- 303.14108 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.