CID 113304145

3-amino-n-(2,2-difluoroethyl)-4-methylthieno(2,3-b)pyridine-2-carboxamide

Structural Information

Molecular Formula
C11H11F2N3OS
SMILES
CC1=C2C(=C(SC2=NC=C1)C(=O)NCC(F)F)N
InChI
InChI=1S/C11H11F2N3OS/c1-5-2-3-15-11-7(5)8(14)9(18-11)10(17)16-4-6(12)13/h2-3,6H,4,14H2,1H3,(H,16,17)
InChIKey
LKDDDXFQAQDVQS-UHFFFAOYSA-N
Compound name
3-amino-N-(2,2-difluoroethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06636 154.4
[M+Na]+ 294.04830 162.7
[M+NH4]+ 289.09290 160.6
[M+K]+ 310.02224 158.1
[M-H]- 270.05180 153.4
[M+Na-2H]- 292.03375 157.4
[M]+ 271.05853 155.3
[M]- 271.05963 155.3
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.