CID 3726387

6-phenyl-2-(pyrrolidine-1-carbonyl)thieno[2,3-b]pyridin-3-amine

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 174.3
[M+Na]+ 346.09844 183.6
[M-H]- 322.10194 183.2
[M+NH4]+ 341.14304 190.7
[M+K]+ 362.07238 177.7
[M+H-H2O]+ 306.10648 166.7
[M+HCOO]- 368.10742 191.4
[M+CH3COO]- 382.12307 185.7
[M+Na-2H]- 344.08389 173.0
[M]+ 323.10867 175.0
[M]- 323.10977 175.0
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.