CID 3076670

1-propanone, 3-(4-(diphenylmethyl)-1-piperazinyl)-2-methyl-1-phenyl-

Structural Information

Molecular Formula
C27H30N2O
SMILES
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O/c1-22(27(30)25-15-9-4-10-16-25)21-28-17-19-29(20-18-28)26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,22,26H,17-21H2,1H3
InChIKey
ZTZNVNODMYCIAW-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2358 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24308 201.2
[M+Na]+ 421.22502 215.9
[M+NH4]+ 416.26962 208.9
[M+K]+ 437.19896 206.4
[M-H]- 397.22852 208.9
[M+Na-2H]- 419.21047 212.3
[M]+ 398.23525 205.6
[M]- 398.23635 205.6
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.