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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 153.4
[M+Na]+ 273.07806 163.2
[M-H]- 249.08156 154.7
[M+NH4]+ 268.12266 168.1
[M+K]+ 289.05200 157.6
[M+H-H2O]+ 233.08610 145.1
[M+HCOO]- 295.08704 165.5
[M+CH3COO]- 309.10269 164.3
[M+Na-2H]- 271.06351 156.1
[M]+ 250.08829 152.5
[M]- 250.08939 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.