CID 135572403

99967-87-0

Structural Information

Molecular Formula
C10H12N4OS
SMILES
C1CCN(CC1)C2=NC3=C(S2)C(=O)NC=N3
InChI
InChI=1S/C10H12N4OS/c15-9-7-8(11-6-12-9)13-10(16-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,11,12,15)
InChIKey
WSJOLTWQVWYJMI-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07318 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08046 149.2
[M+Na]+ 259.06240 159.5
[M-H]- 235.06590 150.7
[M+NH4]+ 254.10700 164.4
[M+K]+ 275.03634 154.1
[M+H-H2O]+ 219.07044 141.1
[M+HCOO]- 281.07138 161.6
[M+CH3COO]- 295.08703 160.5
[M+Na-2H]- 257.04785 152.4
[M]+ 236.07263 148.0
[M]- 236.07373 148.0
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.