CID 2535143

2-{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=CC=CC=N4)Cl
InChI
InChI=1S/C17H10ClN3S/c18-15-14-12(11-6-2-1-3-7-11)10-22-17(14)21-16(20-15)13-8-4-5-9-19-13/h1-10H
InChIKey
FJYJLRPJJRJWLK-UHFFFAOYSA-N
Compound name
4-chloro-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

323.02838 Da
Monoisotopic Mass

4.8
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.

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