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 175.4
[M+Na]+ 338.16009 180.9
[M-H]- 314.16359 179.0
[M+NH4]+ 333.20469 189.3
[M+K]+ 354.13403 171.2
[M+H-H2O]+ 298.16813 169.3
[M+HCOO]- 360.16907 190.5
[M+CH3COO]- 374.18472 192.8
[M+Na-2H]- 336.14554 181.4
[M]+ 315.17032 173.2
[M]- 315.17142 173.2
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.