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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 200.7
[M+Na]+ 425.18356 205.4
[M-H]- 401.18706 207.1
[M+NH4]+ 420.22816 208.8
[M+K]+ 441.15750 199.2
[M+H-H2O]+ 385.19160 188.2
[M+HCOO]- 447.19254 214.8
[M+CH3COO]- 461.20819 208.1
[M+Na-2H]- 423.16901 201.2
[M]+ 402.19379 199.4
[M]- 402.19489 199.4
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.