CID 216303

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

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-2-13(16)14-8-7-10-9-15-12-6-4-3-5-11(10)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
InChIKey
JIKOBZRNRCOBRY-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

51
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.7
[M+Na]+ 239.11549 156.4
[M-H]- 215.11899 150.7
[M+NH4]+ 234.16009 168.0
[M+K]+ 255.08943 152.1
[M+H-H2O]+ 199.12353 141.9
[M+HCOO]- 261.12447 171.7
[M+CH3COO]- 275.14012 187.9
[M+Na-2H]- 237.10094 154.5
[M]+ 216.12572 149.3
[M]- 216.12682 149.3
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