CID 75480910

3-(5-chloropyridine-2-carbonyl)-4h,5h,6h-cyclopenta[b]thiophen-2-amine

Structural Information

Molecular Formula
C13H11ClN2OS
SMILES
C1CC2=C(C1)SC(=C2C(=O)C3=NC=C(C=C3)Cl)N
InChI
InChI=1S/C13H11ClN2OS/c14-7-4-5-9(16-6-7)12(17)11-8-2-1-3-10(8)18-13(11)15/h4-6H,1-3,15H2
InChIKey
ASAWKMZRQKUVQV-UHFFFAOYSA-N
Compound name
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(5-chloropyridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03536 159.5
[M+Na]+ 301.01730 171.4
[M+NH4]+ 296.06190 169.0
[M+K]+ 316.99124 166.0
[M-H]- 277.02080 163.4
[M+Na-2H]- 299.00275 164.8
[M]+ 278.02753 162.9
[M]- 278.02863 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.