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 200.1
[M+Na]+ 413.25634 200.6
[M-H]- 389.25984 204.8
[M+NH4]+ 408.30094 209.6
[M+K]+ 429.23028 193.1
[M+H-H2O]+ 373.26438 186.3
[M+HCOO]- 435.26532 206.5
[M+CH3COO]- 449.28097 204.8
[M+Na-2H]- 411.24179 200.1
[M]+ 390.26657 188.6
[M]- 390.26767 188.6
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.