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

1
Patents

353.2467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.25398 186.0
[M+Na]+ 376.23592 186.9
[M-H]- 352.23942 190.3
[M+NH4]+ 371.28052 196.8
[M+K]+ 392.20986 180.2
[M+H-H2O]+ 336.24396 175.1
[M+HCOO]- 398.24490 198.5
[M+CH3COO]- 412.26055 192.5
[M+Na-2H]- 374.22137 184.9
[M]+ 353.24615 176.8
[M]- 353.24725 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