CID 199373

Brn 0487735

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC(=O)NC1CCN(CC1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H23N3O/c1-13(21)19-15-7-10-20(11-8-15)9-6-14-12-18-17-5-3-2-4-16(14)17/h2-5,12,15,18H,6-11H2,1H3,(H,19,21)
InChIKey
RVRDXTQNLQSVKA-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

285.1841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 168.0
[M+Na]+ 308.17332 173.1
[M-H]- 284.17682 170.9
[M+NH4]+ 303.21792 182.6
[M+K]+ 324.14726 167.5
[M+H-H2O]+ 268.18136 159.0
[M+HCOO]- 330.18230 185.4
[M+CH3COO]- 344.19795 177.5
[M+Na-2H]- 306.15877 170.3
[M]+ 285.18355 164.1
[M]- 285.18465 164.1
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

patents stripe