CID 13379287

Brn 4529143

Structural Information

Molecular Formula
C12H16N4O2S
SMILES
C1CCN(CC1)NC(=O)C2=CN=C3N(C2=O)CCS3
InChI
InChI=1S/C12H16N4O2S/c17-10(14-15-4-2-1-3-5-15)9-8-13-12-16(11(9)18)6-7-19-12/h8H,1-7H2,(H,14,17)
InChIKey
XRDRDCDCQJJKKS-UHFFFAOYSA-N
Compound name
5-oxo-N-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10668 160.9
[M+Na]+ 303.08862 167.3
[M-H]- 279.09212 163.9
[M+NH4]+ 298.13322 175.5
[M+K]+ 319.06256 163.5
[M+H-H2O]+ 263.09666 152.5
[M+HCOO]- 325.09760 172.8
[M+CH3COO]- 339.11325 170.8
[M+Na-2H]- 301.07407 161.9
[M]+ 280.09885 158.2
[M]- 280.09995 158.2
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.