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]+ 323.17540 176.1
[M+Na]+ 345.15734 183.6
[M-H]- 321.16084 184.3
[M+NH4]+ 340.20194 188.5
[M+K]+ 361.13128 178.6
[M+H-H2O]+ 305.16538 165.7
[M+HCOO]- 367.16632 194.3
[M+CH3COO]- 381.18197 186.7
[M+Na-2H]- 343.14279 179.3
[M]+ 322.16757 175.9
[M]- 322.16867 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

patents stripe