CID 45308

Ap 56

Structural Information

Molecular Formula
C20H21NO3
SMILES
C1COCCN1CCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H21NO3/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19/h1-9H,10-15H2
InChIKey
NGAHPZMFYXWQOI-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.7
[M+Na]+ 346.14135 190.7
[M+NH4]+ 341.18595 186.7
[M+K]+ 362.11529 182.8
[M-H]- 322.14485 185.1
[M+Na-2H]- 344.12680 184.8
[M]+ 323.15158 181.3
[M]- 323.15268 181.3
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.