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

Adduct m/z Predicted CCS (Ų)
[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
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.