CID 100702

77261-22-4

Structural Information

Molecular Formula
C20H24N2O3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCCCC3
InChI
InChI=1S/C20H24N2O3S/c1-2-25-20(24)18-16(15-9-5-3-6-10-15)14-26-19(18)21-17(23)13-22-11-7-4-8-12-22/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,23)
InChIKey
RCSIOWHXZCAOBL-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15076 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15804 187.8
[M+Na]+ 395.13998 197.2
[M+NH4]+ 390.18458 194.6
[M+K]+ 411.11392 190.8
[M-H]- 371.14348 192.2
[M+Na-2H]- 393.12543 193.8
[M]+ 372.15021 190.5
[M]- 372.15131 190.5
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.