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 180.7
[M+Na]+ 337.22502 182.7
[M-H]- 313.22852 183.2
[M+NH4]+ 332.26962 194.3
[M+K]+ 353.19896 177.1
[M+H-H2O]+ 297.23306 169.6
[M+HCOO]- 359.23400 188.1
[M+CH3COO]- 373.24965 187.3
[M+Na-2H]- 335.21047 181.8
[M]+ 314.23525 170.1
[M]- 314.23635 170.1
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