CID 97802

1-propanone, 3,3'-(1,4-piperazinediyl)bis(2-methyl-1-phenyl-

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H30N2O2/c1-19(23(27)21-9-5-3-6-10-21)17-25-13-15-26(16-14-25)18-20(2)24(28)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3
InChIKey
GIGZBFNCAMWHDI-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-(2-methyl-3-oxo-3-phenylpropyl)piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

378.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 194.3
[M+Na]+ 401.219958 194.6
[M-H]- 377.223464 198.8
[M+NH4]+ 396.264563 201.6
[M+K]+ 417.193898 190.0
[M+H-H2O]+ 361.228000 182.7
[M+HCOO]- 423.228941 206.2
[M+CH3COO]- 437.244591 221.0
[M+Na-2H]- 399.205406 191.4
[M]+ 378.23019142 190.1
[M]- 378.23128858 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.