CID 206184

43088-51-3

Structural Information

Molecular Formula

C₁₃H₁₁N₃OS

SMILES

CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

InChI

InChI=1S/C13H11N3OS/c1-8-15-12-11(13(17)16(8)14)10(7-18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3

InChIKey

BXOLEYZBXKQEQN-UHFFFAOYSA-N

Compound name

3-amino-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 0
Patents: 257.0623 Da
Monoisotopic Mass: 1.8
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]+	258.06958	154.6
[M+Na]+	280.05152	167.9
[M-H]-	256.05502	161.2
[M+NH4]+	275.09612	172.7
[M+K]+	296.02546	161.7
[M+H-H2O]+	240.05956	147.4
[M+HCOO]-	302.06050	174.6
[M+CH3COO]-	316.07615	168.3
[M+Na-2H]-	278.03697	158.3
[M]+	257.06175	158.6
[M]-	257.06285	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.