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]+ 401.22238 200.8
[M+Na]+ 423.20432 203.8
[M-H]- 399.20782 208.8
[M+NH4]+ 418.24892 207.2
[M+K]+ 439.17826 197.1
[M+H-H2O]+ 383.21236 187.3
[M+HCOO]- 445.21330 215.7
[M+CH3COO]- 459.22895 207.7
[M+Na-2H]- 421.18977 200.7
[M]+ 400.21455 197.3
[M]- 400.21565 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.