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 151.8
[M+Na]+ 281.07189 163.8
[M-H]- 257.07539 160.0
[M+NH4]+ 276.11649 168.7
[M+K]+ 297.04583 157.9
[M+H-H2O]+ 241.07993 146.9
[M+HCOO]- 303.08087 169.7
[M+CH3COO]- 317.09652 164.8
[M+Na-2H]- 279.05734 152.8
[M]+ 258.08212 156.7
[M]- 258.08322 156.7
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.