CID 3064523

104837-20-9

Structural Information

Molecular Formula
C26H24N2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C26H24N2O3/c29-25(21-9-5-2-6-10-21)22-11-12-23-24(17-22)31-26(30)28(23)18-27-15-13-20(14-16-27)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2
InChIKey
UITMRROVDZOFKO-UHFFFAOYSA-N
Compound name
6-benzoyl-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

412.17868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 200.1
[M+Na]+ 435.16790 206.5
[M-H]- 411.17140 211.2
[M+NH4]+ 430.21250 207.8
[M+K]+ 451.14184 200.7
[M+H-H2O]+ 395.17594 187.9
[M+HCOO]- 457.17688 216.3
[M+CH3COO]- 471.19253 208.7
[M+Na-2H]- 433.15335 200.3
[M]+ 412.17813 199.4
[M]- 412.17923 199.4
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.