CID 1990720

3-amino-n-(5-ethyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5h-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

Structural Information

Molecular Formula
C15H15N5OS2
SMILES
CCC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C4CCCC4=C3)N
InChI
InChI=1S/C15H15N5OS2/c1-2-10-19-20-15(22-10)18-13(21)12-11(16)8-6-7-4-3-5-9(7)17-14(8)23-12/h6H,2-5,16H2,1H3,(H,18,20,21)
InChIKey
MUUCHSQNPWBEEI-UHFFFAOYSA-N
Compound name
6-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

345.0718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07908 173.4
[M+Na]+ 368.06102 183.2
[M+NH4]+ 363.10562 181.5
[M+K]+ 384.03496 179.3
[M-H]- 344.06452 176.8
[M+Na-2H]- 366.04647 177.1
[M]+ 345.07125 176.4
[M]- 345.07235 176.4
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

patents stripe