CID 3062965

6-benzoyl-3-((2-methyl-1-piperidinyl)methyl)-2(3h)-benzoxazolone

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CC1CCCCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C21H22N2O3/c1-15-7-5-6-12-22(15)14-23-18-11-10-17(13-19(18)26-21(23)25)20(24)16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14H2,1H3
InChIKey
ACAVQBCJYLLLTC-UHFFFAOYSA-N
Compound name
6-benzoyl-3-[(2-methylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 182.5
[M+Na]+ 373.15228 197.8
[M+NH4]+ 368.19688 189.9
[M+K]+ 389.12622 192.1
[M-H]- 349.15578 188.9
[M+Na-2H]- 371.13773 189.9
[M]+ 350.16251 186.5
[M]- 350.16361 186.5
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.