CID 3064527

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

Structural Information

Molecular Formula
C26H23ClN2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5Cl)OC3=O
InChI
InChI=1S/C26H23ClN2O3/c27-22-9-5-4-8-21(22)25(30)20-10-11-23-24(16-20)32-26(31)29(23)17-28-14-12-19(13-15-28)18-6-2-1-3-7-18/h1-11,16,19H,12-15,17H2
InChIKey
JBUDSCBXDDXFEJ-UHFFFAOYSA-N
Compound name
6-(2-chlorobenzoyl)-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]+ 447.146976 208.5
[M+Na]+ 469.128918 216.6
[M-H]- 445.132424 219.7
[M+NH4]+ 464.173523 216.1
[M+K]+ 485.102858 209.6
[M+H-H2O]+ 429.136960 196.5
[M+HCOO]- 491.137901 220.1
[M+CH3COO]- 505.153551 217.0
[M+Na-2H]- 467.114366 207.3
[M]+ 446.13915142 210.8
[M]- 446.14024858 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.