CID 3062975

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

Structural Information

Molecular Formula
C27H26N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CN4CCC(CC4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O4/c1-32-23-10-7-21(8-11-23)26(30)22-9-12-24-25(17-22)33-27(31)29(24)18-28-15-13-20(14-16-28)19-5-3-2-4-6-19/h2-12,17,20H,13-16,18H2,1H3
InChIKey
PBHRBPIDLOFVEB-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18927 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19655 207.2
[M+Na]+ 465.17849 223.9
[M+NH4]+ 460.22309 214.0
[M+K]+ 481.15243 217.1
[M-H]- 441.18199 215.8
[M+Na-2H]- 463.16394 216.2
[M]+ 442.18872 212.2
[M]- 442.18982 212.2
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.