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 183.3
[M+Na]+ 373.15228 191.0
[M-H]- 349.15578 191.9
[M+NH4]+ 368.19688 194.5
[M+K]+ 389.12622 186.5
[M+H-H2O]+ 333.16032 173.0
[M+HCOO]- 395.16126 200.4
[M+CH3COO]- 409.17691 193.5
[M+Na-2H]- 371.13773 184.3
[M]+ 350.16251 184.0
[M]- 350.16361 184.0
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.