CID 37422

9-benzyl-2-(4-phenyl-1-piperazinyl)-bicyclo(3.3.1)nonan-9-ol maleate

Structural Information

Molecular Formula
C26H34N2O
SMILES
C1CC2CCC(C(C1)C2(CC3=CC=CC=C3)O)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H34N2O/c29-26(20-21-8-3-1-4-9-21)22-10-7-13-24(26)25(15-14-22)28-18-16-27(17-19-28)23-11-5-2-6-12-23/h1-6,8-9,11-12,22,24-25,29H,7,10,13-20H2
InChIKey
ISVABXQPWZTRNX-UHFFFAOYSA-N
Compound name
9-benzyl-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.26712 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 203.1
[M+Na]+ 413.25634 216.7
[M+NH4]+ 408.30094 213.7
[M+K]+ 429.23028 204.2
[M-H]- 389.25984 210.5
[M+Na-2H]- 411.24179 211.3
[M]+ 390.26657 207.4
[M]- 390.26767 207.4
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.