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

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]+	223.064806	145.3
[M+Na]+	245.046748	157.2
[M-H]-	221.050254	148.0
[M+NH4]+	240.091353	163.3
[M+K]+	261.020688	152.8
[M+H-H2O]+	205.054790	138.2
[M+HCOO]-	267.055731	160.5
[M+CH3COO]-	281.071381	158.0
[M+Na-2H]-	243.032196	146.9
[M]+	222.05698142	146.4
[M]-	222.05807858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.