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 180.5
[M+Na]+ 360.15702 185.9
[M-H]- 336.16052 189.9
[M+NH4]+ 355.20162 193.9
[M+K]+ 376.13096 183.2
[M+H-H2O]+ 320.16506 171.0
[M+HCOO]- 382.16600 196.2
[M+CH3COO]- 396.18165 190.5
[M+Na-2H]- 358.14247 183.8
[M]+ 337.16725 179.3
[M]- 337.16835 179.3
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.