CID 3062964

2(3h)-benzoxazolone, 6-benzoyl-3-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)16-9-10-17-18(13-16)25-20(24)22(17)14-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKey
POOSUWLKRAWFKU-UHFFFAOYSA-N
Compound name
6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 178.0
[M+Na]+ 359.13662 193.2
[M+NH4]+ 354.18122 185.5
[M+K]+ 375.11056 187.4
[M-H]- 335.14012 184.3
[M+Na-2H]- 357.12207 185.9
[M]+ 336.14685 182.0
[M]- 336.14795 182.0
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.