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]+ 321.159746 175.0
[M+Na]+ 343.141688 180.9
[M-H]- 319.145194 181.7
[M+NH4]+ 338.186293 186.4
[M+K]+ 359.115628 175.6
[M+H-H2O]+ 303.149730 165.0
[M+HCOO]- 365.150671 190.7
[M+CH3COO]- 379.166321 184.6
[M+Na-2H]- 341.127136 177.7
[M]+ 320.15192142 172.1
[M]- 320.15301858 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.