CID 4147007

477328-91-9

Structural Information

Molecular Formula
C26H28N2O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O2/c1-30-25-13-11-24(12-14-25)28-19-17-27(18-20-28)16-15-26(29)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-14H,15-20H2,1H3
InChIKey
VJDNUQVSIQUUDA-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.222376 200.8
[M+Na]+ 423.204318 203.8
[M-H]- 399.207824 208.8
[M+NH4]+ 418.248923 207.2
[M+K]+ 439.178258 197.1
[M+H-H2O]+ 383.212360 187.3
[M+HCOO]- 445.213301 215.7
[M+CH3COO]- 459.228951 207.7
[M+Na-2H]- 421.189766 200.7
[M]+ 400.21455142 197.3
[M]- 400.21564858 197.3
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.