CID 2811583

Maybridge3_002245

Structural Information

Molecular Formula
C24H31N3O2
SMILES
C1CN(CCC1O)C(=O)C2=CC=CC(=C2)CN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C24H31N3O2/c28-23-9-11-27(12-10-23)24(29)22-8-4-7-21(17-22)19-26-15-13-25(14-16-26)18-20-5-2-1-3-6-20/h1-8,17,23,28H,9-16,18-19H2
InChIKey
QCSLWPOQBNBMKC-UHFFFAOYSA-N
Compound name
[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

393.24164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 199.7
[M+Na]+ 416.230858 200.1
[M-H]- 392.234364 204.2
[M+NH4]+ 411.275463 204.2
[M+K]+ 432.204798 193.4
[M+H-H2O]+ 376.238900 186.0
[M+HCOO]- 438.239841 208.2
[M+CH3COO]- 452.255491 204.4
[M+Na-2H]- 414.216306 197.3
[M]+ 393.24109142 190.1
[M]- 393.24218858 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.