CID 3075377

Piperidine, 1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2h)-yl)acetyl)-

Structural Information

Molecular Formula
C15H19N5O3S
SMILES
CN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCC3)N4CCSC4=N2
InChI
InChI=1S/C15H19N5O3S/c1-17-12-11(19-7-8-24-14(19)16-12)13(22)20(15(17)23)9-10(21)18-5-3-2-4-6-18/h2-9H2,1H3
InChIKey
NJZCDLZBRLOENZ-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12813 180.3
[M+Na]+ 372.11007 191.7
[M+NH4]+ 367.15467 186.0
[M+K]+ 388.08401 188.4
[M-H]- 348.11357 180.4
[M+Na-2H]- 370.09552 182.0
[M]+ 349.12030 182.0
[M]- 349.12140 182.0
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.