CID 734377

3-amino-n-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N
InChI
InChI=1S/C18H19N3O2S/c1-4-23-13-7-5-12(6-8-13)21-17(22)16-15(19)14-10(2)9-11(3)20-18(14)24-16/h5-9H,4,19H2,1-3H3,(H,21,22)
InChIKey
YMEOUKHACVMFLV-UHFFFAOYSA-N
Compound name
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12708 180.0
[M+Na]+ 364.10902 192.9
[M+NH4]+ 359.15362 187.7
[M+K]+ 380.08296 185.7
[M-H]- 340.11252 184.9
[M+Na-2H]- 362.09447 186.4
[M]+ 341.11925 183.6
[M]- 341.12035 183.6
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.