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 178.2
[M+Na]+ 359.13662 185.4
[M-H]- 335.14012 186.6
[M+NH4]+ 354.18122 189.7
[M+K]+ 375.11056 181.1
[M+H-H2O]+ 319.14466 167.9
[M+HCOO]- 381.14560 195.7
[M+CH3COO]- 395.16125 188.5
[M+Na-2H]- 357.12207 180.5
[M]+ 336.14685 178.2
[M]- 336.14795 178.2
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.