CID 5280304

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

Structural Information

Molecular Formula
C26H28N2O3
SMILES
C[C@@H]1CN(CCN1C(=O)[C@@H](C)C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O3/c1-18-17-27(26(30)20-7-5-4-6-8-20)13-14-28(18)25(29)19(2)21-9-10-23-16-24(31-3)12-11-22(23)15-21/h4-12,15-16,18-19H,13-14,17H2,1-3H3/t18-,19+/m1/s1
InChIKey
WSLCNYMEXLPMER-MOPGFXCFSA-N
Compound name
(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 203.5
[M+Na]+ 439.19922 207.1
[M-H]- 415.20272 209.9
[M+NH4]+ 434.24382 210.8
[M+K]+ 455.17316 201.9
[M+H-H2O]+ 399.20726 191.4
[M+HCOO]- 461.20820 215.3
[M+CH3COO]- 475.22385 228.5
[M+Na-2H]- 437.18467 201.5
[M]+ 416.20945 201.4
[M]- 416.21055 201.4
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.