CID 3062973

6-(4-methoxybenzoyl)-3-((2-methyl-1-piperidinyl)methyl)-2(3h)-benzoxazolone

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1CCCCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)OC)OC2=O
InChI
InChI=1S/C22H24N2O4/c1-15-5-3-4-12-23(15)14-24-19-11-8-17(13-20(19)28-22(24)26)21(25)16-6-9-18(27-2)10-7-16/h6-11,13,15H,3-5,12,14H2,1-2H3
InChIKey
ZWCOPIRXQIRGDW-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)-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

380.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 190.9
[M+Na]+ 403.16282 198.8
[M-H]- 379.16632 199.8
[M+NH4]+ 398.20742 201.1
[M+K]+ 419.13676 194.9
[M+H-H2O]+ 363.17086 180.5
[M+HCOO]- 425.17180 207.8
[M+CH3COO]- 439.18745 200.9
[M+Na-2H]- 401.14827 190.9
[M]+ 380.17305 193.8
[M]- 380.17415 193.8
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.