CID 50485

Indole, 5-acetyl-3-piperidinomethyl-

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(=O)C1=CC2=C(C=C1)NC=C2CN3CCCCC3
InChI
InChI=1S/C16H20N2O/c1-12(19)13-5-6-16-15(9-13)14(10-17-16)11-18-7-3-2-4-8-18/h5-6,9-10,17H,2-4,7-8,11H2,1H3
InChIKey
GPTNRJMZXRLDDP-UHFFFAOYSA-N
Compound name
1-[3-(piperidin-1-ylmethyl)-1H-indol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.9
[M+Na]+ 279.14678 173.6
[M+NH4]+ 274.19138 169.2
[M+K]+ 295.12072 168.0
[M-H]- 255.15028 163.8
[M+Na-2H]- 277.13223 166.9
[M]+ 256.15701 163.4
[M]- 256.15811 163.4
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.