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]+ 251.09612 153.3
[M+Na]+ 273.07806 162.8
[M-H]- 249.08156 153.3
[M+NH4]+ 268.12266 167.3
[M+K]+ 289.05200 156.3
[M+H-H2O]+ 233.08610 145.4
[M+HCOO]- 295.08704 163.9
[M+CH3COO]- 309.10269 163.5
[M+Na-2H]- 271.06351 155.8
[M]+ 250.08829 150.7
[M]- 250.08939 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.