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 189.1
[M+Na]+ 395.13998 192.3
[M-H]- 371.14348 196.5
[M+NH4]+ 390.18458 201.2
[M+K]+ 411.11392 188.0
[M+H-H2O]+ 355.14802 180.2
[M+HCOO]- 417.14896 203.2
[M+CH3COO]- 431.16461 215.1
[M+Na-2H]- 393.12543 185.7
[M]+ 372.15021 188.8
[M]- 372.15131 188.8
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.