CID 135455532

99967-88-1

Structural Information

Molecular Formula

C₉H₁₀N₄O₂S

SMILES

C1COCCN1C2=NC3=C(S2)C(=O)NC=N3

InChI

InChI=1S/C9H10N4O2S/c14-8-6-7(10-5-11-8)12-9(16-6)13-1-3-15-4-2-13/h5H,1-4H2,(H,10,11,14)

InChIKey

YPPKOCJXHFAZOC-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 238.05244 Da
Monoisotopic Mass: 0.5
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]+	239.05972	147.6
[M+Na]+	261.04166	158.4
[M-H]-	237.04516	149.9
[M+NH4]+	256.08626	161.4
[M+K]+	277.01560	154.6
[M+H-H2O]+	221.04970	139.7
[M+HCOO]-	283.05064	159.7
[M+CH3COO]-	297.06629	159.3
[M+Na-2H]-	259.02711	151.7
[M]+	238.05189	147.9
[M]-	238.05299	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe