CID 97802

6308-75-4

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]+ 379.23802 194.3
[M+Na]+ 401.21996 194.6
[M-H]- 377.22346 198.8
[M+NH4]+ 396.26456 201.6
[M+K]+ 417.19390 190.0
[M+H-H2O]+ 361.22800 182.7
[M+HCOO]- 423.22894 206.2
[M+CH3COO]- 437.24459 221.0
[M+Na-2H]- 399.20541 191.4
[M]+ 378.23019 190.1
[M]- 378.23129 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.