CID 665387

215928-54-4

Structural Information

Molecular Formula

C₁₀H₆N₂OS₂

SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC=N3

InChI

InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)

InChIKey

LFUBTAOTPHKKOS-UHFFFAOYSA-N

Compound name

5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 8
Patents: 233.99216 Da
Monoisotopic Mass: 2.1
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]+	234.999436	145.6
[M+Na]+	256.981378	160.0
[M-H]-	232.984884	151.6
[M+NH4]+	252.025983	166.6
[M+K]+	272.955318	154.2
[M+H-H2O]+	216.989420	141.1
[M+HCOO]-	278.990361	160.8
[M+CH3COO]-	293.006011	159.9
[M+Na-2H]-	254.966826	147.2
[M]+	233.99161142	150.2
[M]-	233.99270858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe