CID 1541587

3-amino-n,n-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CCN(CC)C(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H19N3OS/c1-3-21(4-2)18(22)16-15(19)13-10-11-14(20-17(13)23-16)12-8-6-5-7-9-12/h5-11H,3-4,19H2,1-2H3
InChIKey
JSDSEMOEGVFOTF-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

325.12488 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 176.3
[M+Na]+ 348.11410 185.1
[M-H]- 324.11760 184.4
[M+NH4]+ 343.15870 192.7
[M+K]+ 364.08804 180.1
[M+H-H2O]+ 308.12214 168.2
[M+HCOO]- 370.12308 196.3
[M+CH3COO]- 384.13873 188.0
[M+Na-2H]- 346.09955 177.5
[M]+ 325.12433 181.0
[M]- 325.12543 181.0
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

No patent data available for this compound.