CID 707443

3-amino-4,6-dimethyl-n-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCCC3=CC=CC=C3)N)C
InChI
InChI=1S/C18H19N3OS/c1-11-10-12(2)21-18-14(11)15(19)16(23-18)17(22)20-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,19H2,1-2H3,(H,20,22)
InChIKey
AIISJPXSPTYBDO-UHFFFAOYSA-N
Compound name
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

325.12488 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 175.7
[M+Na]+ 348.11410 185.3
[M-H]- 324.11760 182.7
[M+NH4]+ 343.15870 191.8
[M+K]+ 364.08804 178.9
[M+H-H2O]+ 308.12214 168.0
[M+HCOO]- 370.12308 195.2
[M+CH3COO]- 384.13873 187.2
[M+Na-2H]- 346.09955 176.9
[M]+ 325.12433 179.5
[M]- 325.12543 179.5
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