CID 1712511

5625-89-8

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

C1COCCN1C(=O)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H14N2O3/c17-13(14(18)16-5-7-19-8-6-16)11-9-15-12-4-2-1-3-10(11)12/h1-4,9,15H,5-8H2

InChIKey

LMNYZFUEOJRQSR-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 14
Patents: 258.10043 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.10771	156.5
[M+Na]+	281.08965	162.8
[M-H]-	257.09315	160.4
[M+NH4]+	276.13425	170.6
[M+K]+	297.06359	160.0
[M+H-H2O]+	241.09769	148.3
[M+HCOO]-	303.09863	172.5
[M+CH3COO]-	317.11428	167.3
[M+Na-2H]-	279.07510	160.0
[M]+	258.09988	154.0
[M]-	258.10098	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe