CID 864492

409351-28-6

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)C
InChI
InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
InChIKey
MDNWGCQSCGNTKH-UHFFFAOYSA-N
Compound name
3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

2
Patents

341.1198 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe