CID 823204

Ms-6408

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1=CC=C(C=C1)C=CC(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)
InChIKey
YSNGDZDGGGVGHU-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

290.1419 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 168.5
[M+Na]+ 313.13112 175.2
[M-H]- 289.13462 173.3
[M+NH4]+ 308.17572 184.2
[M+K]+ 329.10506 168.1
[M+H-H2O]+ 273.13916 160.0
[M+HCOO]- 335.14010 191.0
[M+CH3COO]- 349.15575 179.2
[M+Na-2H]- 311.11657 173.4
[M]+ 290.14135 167.9
[M]- 290.14245 167.9
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