CID 6182478

1-(3-(4-methoxy-1-naphthyl)acryloyl)-4-(4-methoxyphenyl)piperazine

Structural Information

Molecular Formula

C₂₅H₂₆N₂O₃

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C4=CC=CC=C34)OC

InChI

InChI=1S/C25H26N2O3/c1-29-21-11-9-20(10-12-21)26-15-17-27(18-16-26)25(28)14-8-19-7-13-24(30-2)23-6-4-3-5-22(19)23/h3-14H,15-18H2,1-2H3/b14-8+

InChIKey

NUDCZHXRUMCEBA-RIYZIHGNSA-N

Compound name

(E)-3-(4-methoxynaphthalen-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 402.19434 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.201616	200.7
[M+Na]+	425.183558	205.4
[M-H]-	401.187064	207.1
[M+NH4]+	420.228163	208.8
[M+K]+	441.157498	199.2
[M+H-H2O]+	385.191600	188.2
[M+HCOO]-	447.192541	214.8
[M+CH3COO]-	461.208191	208.1
[M+Na-2H]-	423.169006	201.2
[M]+	402.19379142	199.4
[M]-	402.19488858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.