CID 37567

Brn 0436769

Structural Information

Molecular Formula
C23H36N2O
SMILES
CCCCN1CC2CC(C(C(C1)C2(C3=CC=CC=C3)O)N4CCCC4)C
InChI
InChI=1S/C23H36N2O/c1-3-4-12-24-16-20-15-18(2)22(25-13-8-9-14-25)21(17-24)23(20,26)19-10-6-5-7-11-19/h5-7,10-11,18,20-22,26H,3-4,8-9,12-17H2,1-2H3
InChIKey
CXVHONOYIDCEAX-UHFFFAOYSA-N
Compound name
3-butyl-7-methyl-9-phenyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.28278 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.29006 193.4
[M+Na]+ 379.27200 196.0
[M-H]- 355.27550 196.3
[M+NH4]+ 374.31660 207.7
[M+K]+ 395.24594 189.6
[M+H-H2O]+ 339.28004 183.2
[M+HCOO]- 401.28098 202.1
[M+CH3COO]- 415.29663 200.0
[M+Na-2H]- 377.25745 190.3
[M]+ 356.28223 186.5
[M]- 356.28333 186.5
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.