CID 718813

302803-14-1

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H14N2O3S/c1-20-15(19)12-10-5-2-6-11(10)21-14(12)17-13(18)9-4-3-7-16-8-9/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKey
CCOXWSNNMMKBKA-UHFFFAOYSA-N
Compound name
methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07978 168.1
[M+Na]+ 325.06172 177.3
[M+NH4]+ 320.10632 175.6
[M+K]+ 341.03566 173.8
[M-H]- 301.06522 170.5
[M+Na-2H]- 323.04717 172.3
[M]+ 302.07195 170.2
[M]- 302.07305 170.2
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.