CID 3759524

3-{4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl}pyridine

Structural Information

Molecular Formula
C17H10ClN3S
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl
InChI
InChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H
InChIKey
PXYHWAQBHXHCJR-UHFFFAOYSA-N
Compound name
4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.02838 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03566 170.2
[M+Na]+ 346.01760 190.3
[M+NH4]+ 341.06220 180.7
[M+K]+ 361.99154 179.2
[M-H]- 322.02110 177.4
[M+Na-2H]- 344.00305 182.7
[M]+ 323.02783 176.4
[M]- 323.02893 176.4
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.