CID 3064913

Piperazine, 1-methyl-4-(1-oxo-4,4-diphenylbutyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O
SMILES
CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-22-14-16-23(17-15-22)21(24)13-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKey
RWKKIZJJJMCXRM-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-4,4-diphenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.6
[M+Na]+ 345.19372 182.8
[M-H]- 321.19722 185.5
[M+NH4]+ 340.23832 190.7
[M+K]+ 361.16766 177.7
[M+H-H2O]+ 305.20176 169.2
[M+HCOO]- 367.20270 195.1
[M+CH3COO]- 381.21835 208.6
[M+Na-2H]- 343.17917 181.3
[M]+ 322.20395 175.7
[M]- 322.20505 175.7
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.