CID 3726387

342780-13-6

Structural Information

Molecular Formula
C18H17N3OS
SMILES
C1CCN(C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4)N
InChI
InChI=1S/C18H17N3OS/c19-15-13-8-9-14(12-6-2-1-3-7-12)20-17(13)23-16(15)18(22)21-10-4-5-11-21/h1-3,6-9H,4-5,10-11,19H2
InChIKey
XQAZIKOCAFFEIY-UHFFFAOYSA-N
Compound name
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

323.10922 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11650 172.7
[M+Na]+ 346.09844 185.6
[M+NH4]+ 341.14304 181.5
[M+K]+ 362.07238 179.9
[M-H]- 322.10194 178.5
[M+Na-2H]- 344.08389 180.5
[M]+ 323.10867 176.6
[M]- 323.10977 176.6
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

No patent data available for this compound.