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 193.3
[M+Na]+ 396.16824 198.1
[M-H]- 372.17174 198.2
[M+NH4]+ 391.21284 200.9
[M+K]+ 412.14218 191.1
[M+H-H2O]+ 356.17628 180.2
[M+HCOO]- 418.17722 206.5
[M+CH3COO]- 432.19287 200.5
[M+Na-2H]- 394.15369 195.5
[M]+ 373.17847 189.9
[M]- 373.17957 189.9
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.