CID 3062974

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

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)OC)OC2=O
InChI
InChI=1S/C22H24N2O4/c1-15-9-11-23(12-10-15)14-24-19-8-5-17(13-20(19)28-22(24)26)21(25)16-3-6-18(27-2)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKey
LFFNSISBBQQOJN-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)-3-[(4-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 190.9
[M+Na]+ 403.162818 198.8
[M-H]- 379.166324 199.8
[M+NH4]+ 398.207423 201.1
[M+K]+ 419.136758 194.9
[M+H-H2O]+ 363.170860 180.5
[M+HCOO]- 425.171801 207.8
[M+CH3COO]- 439.187451 200.9
[M+Na-2H]- 401.148266 190.9
[M]+ 380.17305142 193.8
[M]- 380.17414858 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.