CID 5280308

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

Structural Information

Molecular Formula
C26H26N2O3
SMILES
C[C@@H]1CN(CCN1C(=O)C(=C)C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H26N2O3/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/h4-12,15-16,18H,2,13-14,17H2,1,3H3/t18-/m1/s1
InChIKey
VEMBIIMONWACHL-GOSISDBHSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 202.3
[M+Na]+ 437.18356 206.2
[M-H]- 413.18706 208.7
[M+NH4]+ 432.22816 209.6
[M+K]+ 453.15750 200.4
[M+H-H2O]+ 397.19160 190.3
[M+HCOO]- 459.19254 214.3
[M+CH3COO]- 473.20819 227.8
[M+Na-2H]- 435.16901 200.3
[M]+ 414.19379 199.6
[M]- 414.19489 199.6
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.