CID 7131503

278614-87-2

Structural Information

Molecular Formula

C₁₁H₁₄N₄OS

SMILES

C1CN(CCN1)CC2=CC(=O)N3C=CSC3=N2

InChI

InChI=1S/C11H14N4OS/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11/h5-7,12H,1-4,8H2

InChIKey

AJUYJZMIDWFGQL-UHFFFAOYSA-N

Compound name

7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.08884 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]+	251.096116	153.4
[M+Na]+	273.078058	163.2
[M-H]-	249.081564	154.7
[M+NH4]+	268.122663	168.1
[M+K]+	289.051998	157.6
[M+H-H2O]+	233.086100	145.1
[M+HCOO]-	295.087041	165.5
[M+CH3COO]-	309.102691	164.3
[M+Na-2H]-	271.063506	156.1
[M]+	250.08829142	152.5
[M]-	250.08938858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.