CID 34877

Brn 0574358

Structural Information

Molecular Formula
C25H32N2O
SMILES
C1CC2CCC(C(C1)C2(C3=CC=CC=C3)O)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H32N2O/c28-25(20-8-3-1-4-9-20)21-10-7-13-23(25)24(15-14-21)27-18-16-26(17-19-27)22-11-5-2-6-12-22/h1-6,8-9,11-12,21,23-24,28H,7,10,13-19H2
InChIKey
HOPSQJCVJGARKZ-UHFFFAOYSA-N
Compound name
9-phenyl-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

376.25146 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 196.0
[M+Na]+ 399.24068 196.9
[M-H]- 375.24418 200.9
[M+NH4]+ 394.28528 206.1
[M+K]+ 415.21462 189.6
[M+H-H2O]+ 359.24872 182.4
[M+HCOO]- 421.24966 202.8
[M+CH3COO]- 435.26531 201.1
[M+Na-2H]- 397.22613 196.5
[M]+ 376.25091 184.2
[M]- 376.25201 184.2
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

patents stripe