CID 135629607

99967-86-9

Structural Information

Molecular Formula
C9H10N4OS
SMILES
C1CCN(C1)C2=NC3=C(S2)C(=O)NC=N3
InChI
InChI=1S/C9H10N4OS/c14-8-6-7(10-5-11-8)12-9(15-6)13-3-1-2-4-13/h5H,1-4H2,(H,10,11,14)
InChIKey
RZTQBKFTKCSRLE-UHFFFAOYSA-N
Compound name
2-pyrrolidin-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

222.05753 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06481 145.5
[M+Na]+ 245.04675 158.0
[M+NH4]+ 240.09135 153.4
[M+K]+ 261.02069 153.7
[M-H]- 221.05025 146.7
[M+Na-2H]- 243.03220 150.9
[M]+ 222.05698 147.8
[M]- 222.05808 147.8
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

No patent data available for this compound.