CID 215420

Brn 0430925

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCCC(=O)NC1CCN(CC1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C19H27N3O/c1-2-5-19(23)21-16-9-12-22(13-10-16)11-8-15-14-20-18-7-4-3-6-17(15)18/h3-4,6-7,14,16,20H,2,5,8-13H2,1H3,(H,21,23)
InChIKey
BOZURWLGOMHSKQ-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 178.0
[M+Na]+ 336.20464 188.7
[M+NH4]+ 331.24924 185.1
[M+K]+ 352.17858 182.8
[M-H]- 312.20814 180.9
[M+Na-2H]- 334.19009 182.9
[M]+ 313.21487 180.0
[M]- 313.21597 180.0
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.