CID 3087726

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

Structural Information

Molecular Formula
C26H23ClN2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C26H23ClN2O3/c27-22-16-23-24(15-21(22)25(30)20-9-5-2-6-10-20)32-26(31)29(23)17-28-13-11-19(12-14-28)18-7-3-1-4-8-18/h1-10,15-16,19H,11-14,17H2
InChIKey
OQKNADGTCJSDFD-UHFFFAOYSA-N
Compound name
6-benzoyl-5-chloro-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

446.1397 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14698 208.5
[M+Na]+ 469.12892 216.6
[M-H]- 445.13242 219.7
[M+NH4]+ 464.17352 216.1
[M+K]+ 485.10286 209.6
[M+H-H2O]+ 429.13696 196.5
[M+HCOO]- 491.13790 220.1
[M+CH3COO]- 505.15355 217.0
[M+Na-2H]- 467.11437 207.3
[M]+ 446.13915 210.8
[M]- 446.14025 210.8
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.