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 154.3
[M+Na]+ 294.04830 164.2
[M-H]- 270.05180 155.5
[M+NH4]+ 289.09290 172.4
[M+K]+ 310.02224 159.6
[M+H-H2O]+ 254.05634 146.1
[M+HCOO]- 316.05728 171.3
[M+CH3COO]- 330.07293 201.2
[M+Na-2H]- 292.03375 154.9
[M]+ 271.05853 154.9
[M]- 271.05963 154.9
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.