CID 885343

3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C17H15N3OS
SMILES
C1CC1C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=C(S3)C(=O)N)N
InChI
InChI=1S/C17H15N3OS/c18-14-13-11(9-4-2-1-3-5-9)8-12(10-6-7-10)20-17(13)22-15(14)16(19)21/h1-5,8,10H,6-7,18H2,(H2,19,21)
InChIKey
KCJZDAVRITZNNV-UHFFFAOYSA-N
Compound name
3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

309.0936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 170.2
[M+Na]+ 332.08282 185.0
[M+NH4]+ 327.12742 179.7
[M+K]+ 348.05676 179.0
[M-H]- 308.08632 183.5
[M+Na-2H]- 330.06827 180.7
[M]+ 309.09305 177.7
[M]- 309.09415 177.7
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

patents stripe