CID 2757627

4-chloro-6-isopropylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula

C₉H₉ClN₂S

SMILES

CC(C)C1=CC2=C(S1)N=CN=C2Cl

InChI

InChI=1S/C9H9ClN2S/c1-5(2)7-3-6-8(10)11-4-12-9(6)13-7/h3-5H,1-2H3

InChIKey

HOXIDKJKRREVOH-UHFFFAOYSA-N

Compound name

4-chloro-6-propan-2-ylthieno[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 212.0175 Da
Monoisotopic Mass: 3.7
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]+	213.02478	141.9
[M+Na]+	235.00672	157.0
[M+NH4]+	230.05132	152.0
[M+K]+	250.98066	149.1
[M-H]-	211.01022	144.2
[M+Na-2H]-	232.99217	148.5
[M]+	212.01695	145.6
[M]-	212.01805	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe