CID 3272300

1-piperidinylethyl-1h-indole-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
InChIKey
YGKPIROTKVQCCU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

50
Patents

272.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 163.5
[M+Na]+ 295.14169 168.8
[M-H]- 271.14519 166.2
[M+NH4]+ 290.18629 178.6
[M+K]+ 311.11563 164.1
[M+H-H2O]+ 255.14973 154.5
[M+HCOO]- 317.15067 180.3
[M+CH3COO]- 331.16632 173.4
[M+Na-2H]- 293.12714 166.4
[M]+ 272.15192 160.9
[M]- 272.15302 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe