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]+ 326.132156 176.3
[M+Na]+ 348.114098 185.1
[M-H]- 324.117604 184.4
[M+NH4]+ 343.158703 192.7
[M+K]+ 364.088038 180.1
[M+H-H2O]+ 308.122140 168.2
[M+HCOO]- 370.123081 196.3
[M+CH3COO]- 384.138731 188.0
[M+Na-2H]- 346.099546 177.5
[M]+ 325.12433142 181.0
[M]- 325.12542858 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.