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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.080456	149.2
[M+Na]+	259.062398	159.5
[M-H]-	235.065904	150.7
[M+NH4]+	254.107003	164.4
[M+K]+	275.036338	154.1
[M+H-H2O]+	219.070440	141.1
[M+HCOO]-	281.071381	161.6
[M+CH3COO]-	295.087031	160.5
[M+Na-2H]-	257.047846	152.4
[M]+	236.07263142	148.0
[M]-	236.07372858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.