CID 6435131

(e)-2-((3-(1h-indol-3-yl)-1-oxo-2-propenyl)oxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C16H21N2O2
SMILES
C[N+](C)(C)CCOC(=O)/C=C/C1=CNC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O2/c1-18(2,3)10-11-20-16(19)9-8-13-12-17-15-7-5-4-6-14(13)15/h4-9,12H,10-11H2,1-3H3/p+1
InChIKey
NGAOYYVGIDYGTR-UHFFFAOYSA-O
Compound name
2-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1603 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16758 161.9
[M+Na]+ 296.14952 174.8
[M+NH4]+ 291.19412 170.0
[M+K]+ 312.12346 170.8
[M-H]- 272.15302 164.5
[M+Na-2H]- 294.13497 168.1
[M]+ 273.15975 164.7
[M]- 273.16085 164.7
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

No patent data available for this compound.