CID 6447071

(e)-4-(2-((3-(1h-indol-3-yl)-1-oxo-2-propenyl)oxy)ethyl)-4-methylmorpholinium iodide

Structural Information

Molecular Formula
C18H23N2O3
SMILES
C[N+]1(CCOCC1)CCOC(=O)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H22N2O3/c1-20(8-11-22-12-9-20)10-13-23-18(21)7-6-15-14-19-17-5-3-2-4-16(15)17/h2-7,14H,8-13H2,1H3/p+1
InChIKey
OJIPFGFTFHEAPS-UHFFFAOYSA-O
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.17087 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17815 173.3
[M+Na]+ 338.16009 186.9
[M+NH4]+ 333.20469 182.4
[M+K]+ 354.13403 180.5
[M-H]- 314.16359 177.9
[M+Na-2H]- 336.14554 180.1
[M]+ 315.17032 176.9
[M]- 315.17142 176.9
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.