CID 1069421

48221-27-8

Structural Information

Molecular Formula
C26H28N2O
SMILES
C1CN(CCN1CCC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O/c29-25(22-10-4-1-5-11-22)16-17-27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2
InChIKey
AVZIJOPNYHUBGV-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

384.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.227426 196.2
[M+Na]+ 407.209368 197.1
[M-H]- 383.212874 203.4
[M+NH4]+ 402.253973 202.6
[M+K]+ 423.183308 190.2
[M+H-H2O]+ 367.217410 182.8
[M+HCOO]- 429.218351 209.9
[M+CH3COO]- 443.234001 202.4
[M+Na-2H]- 405.194816 196.5
[M]+ 384.21960142 189.9
[M]- 384.22069858 189.9
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

No patent data available for this compound.