CID 59630039

Schembl8871690

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-14-21-12-10-17(11-13-21)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKey
DSXGXHVTSKGARP-UHFFFAOYSA-N
Compound name
3-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

322.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.175396 176.1
[M+Na]+ 345.157338 183.6
[M-H]- 321.160844 184.3
[M+NH4]+ 340.201943 188.5
[M+K]+ 361.131278 178.6
[M+H-H2O]+ 305.165380 165.7
[M+HCOO]- 367.166321 194.3
[M+CH3COO]- 381.181971 186.7
[M+Na-2H]- 343.142786 179.3
[M]+ 322.16757142 175.9
[M]- 322.16866858 175.9
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.