CID 1626856

(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone

Structural Information

Molecular Formula
C26H17ClN2OS
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C5=CC=CC=C5
InChI
InChI=1S/C26H17ClN2OS/c27-19-13-11-18(12-14-19)24(30)25-23(28)22-20(16-7-3-1-4-8-16)15-21(29-26(22)31-25)17-9-5-2-6-10-17/h1-15H,28H2
InChIKey
AHBKPFBBTKQWHW-UHFFFAOYSA-N
Compound name
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.075 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08228 204.3
[M+Na]+ 463.06422 224.1
[M+NH4]+ 458.10882 214.3
[M+K]+ 479.03816 212.1
[M-H]- 439.06772 214.9
[M+Na-2H]- 461.04967 217.3
[M]+ 440.07445 211.4
[M]- 440.07555 211.4
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.