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 176.9
[M+Na]+ 336.20464 181.0
[M-H]- 312.20814 179.3
[M+NH4]+ 331.24924 190.3
[M+K]+ 352.17858 175.0
[M+H-H2O]+ 296.21268 167.4
[M+HCOO]- 358.21362 193.6
[M+CH3COO]- 372.22927 206.7
[M+Na-2H]- 334.19009 178.1
[M]+ 313.21487 173.6
[M]- 313.21597 173.6
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.