CID 218132

40281-19-4

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)16-19(17-8-4-2-5-9-17)20(23)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKey
HACBNWCURIYQSS-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.9
[M+Na]+ 331.17809 178.5
[M-H]- 307.18159 181.0
[M+NH4]+ 326.22269 186.4
[M+K]+ 347.15203 173.5
[M+H-H2O]+ 291.18613 164.7
[M+HCOO]- 353.18707 190.7
[M+CH3COO]- 367.20272 184.1
[M+Na-2H]- 329.16354 177.1
[M]+ 308.18832 170.7
[M]- 308.18942 170.7
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.