CID 673068

(3-amino-6,7-dihydro-5h-cyclopenta[b]thieno[3,2-e]pyridin-2-yl)(cyclopropyl)methanone

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1CC2=CC3=C(N=C2C1)SC(=C3N)C(=O)C4CC4
InChI
InChI=1S/C14H14N2OS/c15-11-9-6-8-2-1-3-10(8)16-14(9)18-13(11)12(17)7-4-5-7/h6-7H,1-5,15H2
InChIKey
MXNDLBXVKZKIKI-UHFFFAOYSA-N
Compound name
(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

258.08267 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08995 157.7
[M+Na]+ 281.07189 170.5
[M+NH4]+ 276.11649 168.0
[M+K]+ 297.04583 166.7
[M-H]- 257.07539 168.4
[M+Na-2H]- 279.05734 164.7
[M]+ 258.08212 164.1
[M]- 258.08322 164.1
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.