CID 6303813

892147-47-6

Structural Information

Molecular Formula
C25H26N2O2
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=C/C(=O)N3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O2/c1-29-24-13-11-21(22-9-5-6-10-23(22)24)12-14-25(28)27-17-15-26(16-18-27)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3/b14-12+
InChIKey
HBGAEYDFZHCBLH-WYMLVPIESA-N
Compound name
(E)-1-(4-benzylpiperazin-1-yl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.206706 197.3
[M+Na]+ 409.188648 201.3
[M-H]- 385.192154 203.3
[M+NH4]+ 404.233253 205.8
[M+K]+ 425.162588 194.2
[M+H-H2O]+ 369.196690 184.8
[M+HCOO]- 431.197631 211.3
[M+CH3COO]- 445.213281 204.5
[M+Na-2H]- 407.174096 198.4
[M]+ 386.19888142 194.1
[M]- 386.19997858 194.1
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.