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 198.6
[M+Na]+ 409.22502 201.4
[M-H]- 385.22852 206.5
[M+NH4]+ 404.26962 205.8
[M+K]+ 425.19896 194.6
[M+H-H2O]+ 369.23306 185.2
[M+HCOO]- 431.23400 213.1
[M+CH3COO]- 445.24965 205.6
[M+Na-2H]- 407.21047 198.4
[M]+ 386.23525 194.4
[M]- 386.23635 194.4
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

patents stripe