CID 6447077

2-propenoic acid, 3-(1h-indol-3-yl)-, 2-(4-morpholinyl)ethyl ester, (e)-, 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]+ 301.154676 170.2
[M+Na]+ 323.136618 175.5
[M-H]- 299.140124 173.4
[M+NH4]+ 318.181223 182.7
[M+K]+ 339.110558 171.5
[M+H-H2O]+ 283.144660 161.1
[M+HCOO]- 345.145601 186.1
[M+CH3COO]- 359.161251 197.5
[M+Na-2H]- 321.122066 173.2
[M]+ 300.14685142 169.1
[M]- 300.14794858 169.1
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.