CID 384617

N-[2-(1h-indol-3-yl)ethyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1CCC(CC1)C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H22N2O/c20-17(13-6-2-1-3-7-13)18-11-10-14-12-19-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,19H,1-3,6-7,10-11H2,(H,18,20)
InChIKey
IKDNYMADROKAPP-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

270.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 163.2
[M+Na]+ 293.16244 167.4
[M-H]- 269.16594 167.1
[M+NH4]+ 288.20704 179.5
[M+K]+ 309.13638 161.9
[M+H-H2O]+ 253.17048 155.0
[M+HCOO]- 315.17142 182.0
[M+CH3COO]- 329.18707 173.2
[M+Na-2H]- 291.14789 166.3
[M]+ 270.17267 158.4
[M]- 270.17377 158.4
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.