CID 3066213

M.g. 16230

Structural Information

Molecular Formula
C25H33N3O
SMILES
C1CCN(C(=O)C1)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H33N3O/c29-24-14-7-8-16-27(24)17-9-15-26-18-20-28(21-19-26)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,10-13,25H,7-9,14-21H2
InChIKey
QHSFFBUTQQUXFN-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.26236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 200.1
[M+Na]+ 414.25158 199.6
[M-H]- 390.25508 205.2
[M+NH4]+ 409.29618 205.0
[M+K]+ 430.22552 192.7
[M+H-H2O]+ 374.25962 185.7
[M+HCOO]- 436.26056 209.5
[M+CH3COO]- 450.27621 204.8
[M+Na-2H]- 412.23703 198.2
[M]+ 391.26181 190.8
[M]- 391.26291 190.8
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.