CID 3510001

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

Structural Information

Molecular Formula
C16H13ClN2OS
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC(=CC=C3)Cl)N)C
InChI
InChI=1S/C16H13ClN2OS/c1-8-6-9(2)19-16-12(8)13(18)15(21-16)14(20)10-4-3-5-11(17)7-10/h3-7H,18H2,1-2H3
InChIKey
DFIAMGCGHLHXSS-UHFFFAOYSA-N
Compound name
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

316.0437 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05098 170.7
[M+Na]+ 339.03292 183.6
[M-H]- 315.03642 178.4
[M+NH4]+ 334.07752 188.7
[M+K]+ 355.00686 176.3
[M+H-H2O]+ 299.04096 164.8
[M+HCOO]- 361.04190 185.3
[M+CH3COO]- 375.05755 183.6
[M+Na-2H]- 337.01837 170.8
[M]+ 316.04315 177.2
[M]- 316.04425 177.2
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.