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]+ 351.170336 183.3
[M+Na]+ 373.152278 191.0
[M-H]- 349.155784 191.9
[M+NH4]+ 368.196883 194.5
[M+K]+ 389.126218 186.5
[M+H-H2O]+ 333.160320 173.0
[M+HCOO]- 395.161261 200.4
[M+CH3COO]- 409.176911 193.5
[M+Na-2H]- 371.137726 184.3
[M]+ 350.16251142 184.0
[M]- 350.16360858 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.