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 205.6
[M+Na]+ 463.06422 216.7
[M-H]- 439.06772 218.4
[M+NH4]+ 458.10882 217.1
[M+K]+ 479.03816 207.0
[M+H-H2O]+ 423.07226 196.4
[M+HCOO]- 485.07320 219.4
[M+CH3COO]- 499.08885 215.6
[M+Na-2H]- 461.04967 205.4
[M]+ 440.07445 210.5
[M]- 440.07555 210.5
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.