CID 135600406

2032665-26-0

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C1CN(CCN1)CC2=NC3=C(C(=O)N2)SC=C3
InChI
InChI=1S/C11H14N4OS/c16-11-10-8(1-6-17-10)13-9(14-11)7-15-4-2-12-3-5-15/h1,6,12H,2-5,7H2,(H,13,14,16)
InChIKey
YSHZFTJXLSQMPK-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.096116 153.3
[M+Na]+ 273.078058 162.8
[M-H]- 249.081564 153.3
[M+NH4]+ 268.122663 167.3
[M+K]+ 289.051998 156.3
[M+H-H2O]+ 233.086100 145.4
[M+HCOO]- 295.087041 163.9
[M+CH3COO]- 309.102691 163.5
[M+Na-2H]- 271.063506 155.8
[M]+ 250.08829142 150.7
[M]- 250.08938858 150.7
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.