CID 473059

Chembl15223

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1COCCN1CCN2C3=C(C=C(C=C3)CC4=CC=CC=C4)OC2=O
InChI
InChI=1S/C20H22N2O3/c23-20-22(9-8-21-10-12-24-13-11-21)18-7-6-17(15-19(18)25-20)14-16-4-2-1-3-5-16/h1-7,15H,8-14H2
InChIKey
NUCYMKTYZRNJOP-UHFFFAOYSA-N
Compound name
6-benzyl-3-(2-morpholin-4-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 179.6
[M+Na]+ 361.15228 187.2
[M-H]- 337.15578 188.5
[M+NH4]+ 356.19688 190.0
[M+K]+ 377.12622 183.9
[M+H-H2O]+ 321.16032 169.3
[M+HCOO]- 383.16126 197.0
[M+CH3COO]- 397.17691 190.1
[M+Na-2H]- 359.13773 183.3
[M]+ 338.16251 181.4
[M]- 338.16361 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.