CID 3064524

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

Structural Information

Molecular Formula
C27H26N2O3
SMILES
C1CN(CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C27H26N2O3/c30-26(22-9-5-2-6-10-22)23-11-12-24-25(18-23)32-27(31)29(24)19-28-15-13-21(14-16-28)17-20-7-3-1-4-8-20/h1-12,18,21H,13-17,19H2
InChIKey
MCKWBSHFVKWZIB-UHFFFAOYSA-N
Compound name
6-benzoyl-3-[(4-benzylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 204.1
[M+Na]+ 449.18356 221.0
[M+NH4]+ 444.22816 211.5
[M+K]+ 465.15750 213.4
[M-H]- 425.18706 213.1
[M+Na-2H]- 447.16901 213.8
[M]+ 426.19379 209.2
[M]- 426.19489 209.2
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.