CID 16768198

1-{thieno[2,3-d]pyrimidin-4-yl}piperazine

Structural Information

Molecular Formula
C10H12N4S
SMILES
C1CN(CCN1)C2=C3C=CSC3=NC=N2
InChI
InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKey
HFGUINASBGDWLY-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

220.07826 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08554 145.0
[M+Na]+ 243.06748 154.4
[M-H]- 219.07098 146.1
[M+NH4]+ 238.11208 160.8
[M+K]+ 259.04142 149.2
[M+H-H2O]+ 203.07552 136.7
[M+HCOO]- 265.07646 157.1
[M+CH3COO]- 279.09211 156.2
[M+Na-2H]- 241.05293 149.0
[M]+ 220.07771 142.7
[M]- 220.07881 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe