CID 1186357

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,4-dichlorophenyl)methanone

Structural Information

Molecular Formula
C16H12Cl2N2OS
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=C(C=C(C=C3)Cl)Cl)N)C
InChI
InChI=1S/C16H12Cl2N2OS/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)10-4-3-9(17)6-11(10)18/h3-6H,19H2,1-2H3
InChIKey
WFZRQRGHKYCUGL-UHFFFAOYSA-N
Compound name
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

350.00473 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01201 178.9
[M+Na]+ 372.99395 195.6
[M+NH4]+ 368.03855 188.3
[M+K]+ 388.96789 186.2
[M-H]- 348.99745 183.9
[M+Na-2H]- 370.97940 185.9
[M]+ 350.00418 184.0
[M]- 350.00528 184.0
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.