CID 2760428

683274-67-1

Structural Information

Molecular Formula

C₁₀H₁₂N₄S

SMILES

C1CN(CCN1)C2=NC=NC3=C2SC=C3

InChI

InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2

InChIKey

GVNSLBIXJYZCCB-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylthieno[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 35
Patents: 220.07826 Da
Monoisotopic Mass: 0.6
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]+	221.08554	145.1
[M+Na]+	243.06748	158.5
[M+NH4]+	238.11208	153.9
[M+K]+	259.04142	151.3
[M-H]-	219.07098	147.5
[M+Na-2H]-	241.05293	152.1
[M]+	220.07771	148.1
[M]-	220.07881	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe