CID 5280309

1-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-2-hydroxy-2-(2-naphthyl)propan-1-one

Structural Information

Molecular Formula
C25H26N2O3
SMILES
C[C@@H]1CN(CCN1C(=O)C(C)(C2=CC3=CC=CC=C3C=C2)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2O3/c1-18-17-26(23(28)20-9-4-3-5-10-20)14-15-27(18)24(29)25(2,30)22-13-12-19-8-6-7-11-21(19)16-22/h3-13,16,18,30H,14-15,17H2,1-2H3/t18-,25?/m1/s1
InChIKey
SLUQFEXBRZERQI-YDONVPIESA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-hydroxy-2-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 199.1
[M+Na]+ 425.18356 202.5
[M-H]- 401.18706 204.3
[M+NH4]+ 420.22816 206.3
[M+K]+ 441.15750 196.8
[M+H-H2O]+ 385.19160 188.0
[M+HCOO]- 447.19254 209.2
[M+CH3COO]- 461.20819 221.6
[M+Na-2H]- 423.16901 200.2
[M]+ 402.19379 194.8
[M]- 402.19489 194.8
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.