CID 473067

6-benzoyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C21H22N2O3/c24-20(16-7-3-1-4-8-16)17-9-10-18-19(15-17)26-21(25)23(18)14-13-22-11-5-2-6-12-22/h1,3-4,7-10,15H,2,5-6,11-14H2
InChIKey
GSEORVQIZUVTBK-UHFFFAOYSA-N
Compound name
6-benzoyl-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 182.8
[M+Na]+ 373.15228 189.5
[M-H]- 349.15578 191.0
[M+NH4]+ 368.19688 193.7
[M+K]+ 389.12622 185.0
[M+H-H2O]+ 333.16032 172.3
[M+HCOO]- 395.16126 199.9
[M+CH3COO]- 409.17691 192.6
[M+Na-2H]- 371.13773 184.5
[M]+ 350.16251 183.0
[M]- 350.16361 183.0
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.