CID 11413240

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

Structural Information

Molecular Formula
C13H14N2O
SMILES
C=CC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H14N2O/c1-2-13(16)14-8-7-10-9-15-12-6-4-3-5-11(10)12/h2-6,9,15H,1,7-8H2,(H,14,16)
InChIKey
CVUGGBGZQFMMTN-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

214.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.7
[M+Na]+ 237.099828 155.7
[M-H]- 213.103334 149.7
[M+NH4]+ 232.144433 167.0
[M+K]+ 253.073768 150.7
[M+H-H2O]+ 197.107870 140.9
[M+HCOO]- 259.108811 170.9
[M+CH3COO]- 273.124461 187.0
[M+Na-2H]- 235.085276 153.5
[M]+ 214.11006142 147.6
[M]- 214.11115858 147.6
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