CID 6447077

(e)-3-(1h-indol-3-yl)-2-propenoic acid 2-(4-morpholinyl)ethyl ester ethanedioate (1:1)

Structural Information

Molecular Formula
C17H20N2O3
SMILES
C1COCCN1CCOC(=O)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H20N2O3/c20-17(22-12-9-19-7-10-21-11-8-19)6-5-14-13-18-16-4-2-1-3-15(14)16/h1-6,13,18H,7-12H2/b6-5+
InChIKey
ROKLOEDZYCHBRS-AATRIKPKSA-N
Compound name
2-morpholin-4-ylethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 171.2
[M+Na]+ 323.13662 182.7
[M+NH4]+ 318.18122 177.7
[M+K]+ 339.11056 178.0
[M-H]- 299.14012 174.0
[M+Na-2H]- 321.12207 175.6
[M]+ 300.14685 173.3
[M]- 300.14795 173.3
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.