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

literature stripe

Patent stripe

patents stripe