CID 3044367

Ad 878

Structural Information

Molecular Formula
C26H30N2O
SMILES
CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C26H30N2O/c1-21-12-14-22(15-13-21)20-25(23-8-4-3-5-9-23)28-18-16-27(17-19-28)24-10-6-7-11-26(24)29-2/h3-15,25H,16-20H2,1-2H3
InChIKey
PEUIQMITKZSCOP-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[2-(4-methylphenyl)-1-phenylethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.2358 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24308 199.8
[M+Na]+ 409.22502 216.2
[M+NH4]+ 404.26962 208.2
[M+K]+ 425.19896 205.7
[M-H]- 385.22852 208.4
[M+Na-2H]- 407.21047 211.3
[M]+ 386.23525 204.9
[M]- 386.23635 204.9
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

patents stripe