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 177.1
[M+Na]+ 372.99395 190.8
[M-H]- 348.99745 184.3
[M+NH4]+ 368.03855 194.3
[M+K]+ 388.96789 182.8
[M+H-H2O]+ 333.00199 172.0
[M+HCOO]- 395.00293 186.4
[M+CH3COO]- 409.01858 189.3
[M+Na-2H]- 370.97940 175.8
[M]+ 350.00418 185.0
[M]- 350.00528 185.0
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.