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]+ 259.089946 151.8
[M+Na]+ 281.071888 163.8
[M-H]- 257.075394 160.0
[M+NH4]+ 276.116493 168.7
[M+K]+ 297.045828 157.9
[M+H-H2O]+ 241.079930 146.9
[M+HCOO]- 303.080871 169.7
[M+CH3COO]- 317.096521 164.8
[M+Na-2H]- 279.057336 152.8
[M]+ 258.08212142 156.7
[M]- 258.08321858 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.