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 162.7
[M+Na]+ 301.01730 173.2
[M-H]- 277.02080 169.8
[M+NH4]+ 296.06190 183.4
[M+K]+ 316.99124 167.5
[M+H-H2O]+ 261.02534 157.5
[M+HCOO]- 323.02628 176.4
[M+CH3COO]- 337.04193 175.4
[M+Na-2H]- 299.00275 161.1
[M]+ 278.02753 165.5
[M]- 278.02863 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.