CID 10127573

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

Structural Information

Molecular Formula
C30H50N2O
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)
InChIKey
PMYMGHIVWFOOOS-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

454.3923 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.39958 224.9
[M+Na]+ 477.38152 224.8
[M-H]- 453.38502 223.3
[M+NH4]+ 472.42612 234.0
[M+K]+ 493.35546 216.4
[M+H-H2O]+ 437.38956 214.5
[M+HCOO]- 499.39050 241.8
[M+CH3COO]- 513.40615 238.2
[M+Na-2H]- 475.36697 221.5
[M]+ 454.39175 231.2
[M]- 454.39285 231.2
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