CID 100407

Brn 0563805

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1COCCN1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/c23-18(14-22-10-12-24-13-11-22)19-16-8-4-5-9-17(16)21-20(19)15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKey
AOTQUDCEGYEEMT-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-(2-phenyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 175.0
[M+Na]+ 343.14169 180.9
[M-H]- 319.14519 181.7
[M+NH4]+ 338.18629 186.4
[M+K]+ 359.11563 175.6
[M+H-H2O]+ 303.14973 165.0
[M+HCOO]- 365.15067 190.7
[M+CH3COO]- 379.16632 184.6
[M+Na-2H]- 341.12714 177.7
[M]+ 320.15192 172.1
[M]- 320.15302 172.1
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.