CID 6003822

3-(4-methoxy-1-naphthyl)-1-[4-(2-pyridinyl)piperazino]-2-propen-1-one

Structural Information

Molecular Formula
C23H23N3O2
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C23H23N3O2/c1-28-21-11-9-18(19-6-2-3-7-20(19)21)10-12-23(27)26-16-14-25(15-17-26)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3/b12-10+
InChIKey
ZPHNQFGKRLKKFA-ZRDIBKRKSA-N
Compound name
(E)-3-(4-methoxynaphthalen-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

373.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 192.6
[M+Na]+ 396.16824 208.1
[M+NH4]+ 391.21284 199.7
[M+K]+ 412.14218 198.8
[M-H]- 372.17174 197.8
[M+Na-2H]- 394.15369 201.2
[M]+ 373.17847 196.3
[M]- 373.17957 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.