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

9
Patents

214.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.7
[M+Na]+ 237.09983 155.7
[M-H]- 213.10333 149.7
[M+NH4]+ 232.14443 167.0
[M+K]+ 253.07377 150.7
[M+H-H2O]+ 197.10787 140.9
[M+HCOO]- 259.10881 170.9
[M+CH3COO]- 273.12446 187.0
[M+Na-2H]- 235.08528 153.5
[M]+ 214.11006 147.6
[M]- 214.11116 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