CID 35345

30437-34-4

Structural Information

Molecular Formula
C20H30N2O
SMILES
CC1(C2CCCC1C(CC2)N3CCN(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C20H30N2O/c1-20(23)16-6-5-9-18(20)19(11-10-16)22-14-12-21(13-15-22)17-7-3-2-4-8-17/h2-4,7-8,16,18-19,23H,5-6,9-15H2,1H3
InChIKey
QZLWUIZKTBUNLP-UHFFFAOYSA-N
Compound name
9-methyl-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

314.2358 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 181.8
[M+Na]+ 337.22502 193.8
[M+NH4]+ 332.26962 192.4
[M+K]+ 353.19896 183.2
[M-H]- 313.22852 186.8
[M+Na-2H]- 335.21047 187.8
[M]+ 314.23525 185.0
[M]- 314.23635 185.0
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.