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 179.5
[M+Na]+ 364.10902 189.6
[M-H]- 340.11252 186.8
[M+NH4]+ 359.15362 195.1
[M+K]+ 380.08296 183.9
[M+H-H2O]+ 324.11706 171.8
[M+HCOO]- 386.11800 199.1
[M+CH3COO]- 400.13365 216.3
[M+Na-2H]- 362.09447 180.1
[M]+ 341.11925 185.1
[M]- 341.12035 185.1
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.