CID 45310

Ap 58

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1COCCN1CCCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO3/c23-20-21(17-7-2-1-3-8-17,18-9-4-5-10-19(18)25-20)11-6-12-22-13-15-24-16-14-22/h1-5,7-10H,6,11-16H2
InChIKey
TXBZQIOQVBXXIV-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.2
[M+Na]+ 360.15702 195.1
[M+NH4]+ 355.20162 191.1
[M+K]+ 376.13096 186.9
[M-H]- 336.16052 189.5
[M+Na-2H]- 358.14247 189.1
[M]+ 337.16725 185.8
[M]- 337.16835 185.8
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.