CID 3087725

2(3h)-benzoxazolone, 6-benzoyl-5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C26H23ClN2O4
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C26H23ClN2O4/c27-21-16-22-23(15-20(21)24(30)18-7-3-1-4-8-18)33-25(31)29(22)17-28-13-11-26(32,12-14-28)19-9-5-2-6-10-19/h1-10,15-16,32H,11-14,17H2
InChIKey
AFZRIDUQYGBRFV-UHFFFAOYSA-N
Compound name
6-benzoyl-5-chloro-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.13464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.141916 210.1
[M+Na]+ 485.123858 218.6
[M-H]- 461.127364 220.5
[M+NH4]+ 480.168463 218.3
[M+K]+ 501.097798 212.1
[M+H-H2O]+ 445.131900 198.4
[M+HCOO]- 507.132841 220.5
[M+CH3COO]- 521.148491 218.3
[M+Na-2H]- 483.109306 210.0
[M]+ 462.13409142 212.5
[M]- 462.13518858 212.5
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.