CID 5280307

1-(4-benzoylpiperazin-1-yl)-2-(6-methoxy-2-naphthyl)prop-2-en-1-one

Structural Information

Molecular Formula
C25H24N2O3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O3/c1-18(20-8-9-22-17-23(30-2)11-10-21(22)16-20)24(28)26-12-14-27(15-13-26)25(29)19-6-4-3-5-7-19/h3-11,16-17H,1,12-15H2,2H3
InChIKey
VSZQFNMMDXUBEZ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-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

400.17868 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 197.8
[M+Na]+ 423.16790 201.1
[M-H]- 399.17140 203.9
[M+NH4]+ 418.21250 205.3
[M+K]+ 439.14184 195.5
[M+H-H2O]+ 383.17594 185.7
[M+HCOO]- 445.17688 210.1
[M+CH3COO]- 459.19253 204.7
[M+Na-2H]- 421.15335 197.0
[M]+ 400.17813 194.2
[M]- 400.17923 194.2
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.