CID 215395

Brn 0496127

Structural Information

Molecular Formula
C22H31N3O
SMILES
C1CCC(CC1)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H31N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h4-5,8-9,16-17,19,23H,1-3,6-7,10-15H2,(H,24,26)
InChIKey
BYABRKKQSVQWPG-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.2467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.253976 186.0
[M+Na]+ 376.235918 186.9
[M-H]- 352.239424 190.3
[M+NH4]+ 371.280523 196.8
[M+K]+ 392.209858 180.2
[M+H-H2O]+ 336.243960 175.1
[M+HCOO]- 398.244901 198.5
[M+CH3COO]- 412.260551 192.5
[M+Na-2H]- 374.221366 184.9
[M]+ 353.24615142 176.8
[M]- 353.24724858 176.8
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