CID 206282

47375-47-3

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC(CN1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-18(21(24)20-10-6-3-7-11-20)16-22-12-14-23(15-13-22)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3
InChIKey
ZOLUSXMQTNDPER-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 180.3
[M+Na]+ 345.193718 182.4
[M-H]- 321.197224 185.2
[M+NH4]+ 340.238323 190.3
[M+K]+ 361.167658 177.3
[M+H-H2O]+ 305.201760 168.9
[M+HCOO]- 367.202701 194.8
[M+CH3COO]- 381.218351 209.2
[M+Na-2H]- 343.179166 181.0
[M]+ 322.20395142 175.4
[M]- 322.20504858 175.4
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.