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]+ 303.079776 169.5
[M+Na]+ 325.061718 177.1
[M-H]- 301.065224 176.6
[M+NH4]+ 320.106323 188.1
[M+K]+ 341.035658 174.1
[M+H-H2O]+ 285.069760 163.2
[M+HCOO]- 347.070701 187.4
[M+CH3COO]- 361.086351 201.4
[M+Na-2H]- 323.047166 168.6
[M]+ 302.07195142 172.9
[M]- 302.07304858 172.9
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.