CID 762362

51991-94-7

Structural Information

Molecular Formula

C₇H₄N₂O₃S

SMILES

C1=CSC2=NC=C(C(=O)N21)C(=O)O

InChI

InChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)

InChIKey

FDGPDTWORUVKQX-UHFFFAOYSA-N

Compound name

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 17
Patents: 195.99426 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]+	197.00154	137.0
[M+Na]+	218.98348	149.7
[M+NH4]+	214.02808	144.5
[M+K]+	234.95742	144.9
[M-H]-	194.98698	136.8
[M+Na-2H]-	216.96893	141.8
[M]+	195.99371	139.0
[M]-	195.99481	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe