CID 5280306

1-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(6-methoxy-2-naphthyl)ethanone

Structural Information

Molecular Formula
C25H26N2O3
SMILES
C[C@@H]1CN(CCN1C(=O)CC2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2O3/c1-18-17-26(25(29)20-6-4-3-5-7-20)12-13-27(18)24(28)15-19-8-9-22-16-23(30-2)11-10-21(22)14-19/h3-11,14,16,18H,12-13,15,17H2,1-2H3/t18-/m1/s1
InChIKey
MMYWJZULHNUDEJ-GOSISDBHSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 200.1
[M+Na]+ 425.18356 204.4
[M-H]- 401.18706 206.5
[M+NH4]+ 420.22816 208.1
[M+K]+ 441.15750 198.8
[M+H-H2O]+ 385.19160 187.8
[M+HCOO]- 447.19254 213.2
[M+CH3COO]- 461.20819 207.3
[M+Na-2H]- 423.16901 199.5
[M]+ 402.19379 198.2
[M]- 402.19489 198.2
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.