CID 693929

278791-71-2

Structural Information

Molecular Formula
C16H16N4S
SMILES
C1CN(CCN1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4
InChI
InChI=1S/C16H16N4S/c1-2-4-12(5-3-1)13-10-21-16-14(13)15(18-11-19-16)20-8-6-17-7-9-20/h1-5,10-11,17H,6-9H2
InChIKey
CROSIIFKOPCIFE-UHFFFAOYSA-N
Compound name
5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.10956 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.116836 165.4
[M+Na]+ 319.098778 174.5
[M-H]- 295.102284 169.5
[M+NH4]+ 314.143383 177.8
[M+K]+ 335.072718 166.9
[M+H-H2O]+ 279.106820 155.7
[M+HCOO]- 341.107761 176.9
[M+CH3COO]- 355.123411 175.3
[M+Na-2H]- 317.084226 168.1
[M]+ 296.10901142 162.9
[M]- 296.11010858 162.9
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

No patent data available for this compound.