CID 3056650

Brn 5277579

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1=CC(=CC=C1)OCC(CNC2CN3CCC2CC3)O
InChI
InChI=1S/C17H26N2O2/c1-13-3-2-4-16(9-13)21-12-15(20)10-18-17-11-19-7-5-14(17)6-8-19/h2-4,9,14-15,17-18,20H,5-8,10-12H2,1H3
InChIKey
YJXWUQZNIUMTHI-UHFFFAOYSA-N
Compound name
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(3-methylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 166.4
[M+Na]+ 313.188648 167.3
[M-H]- 289.192154 162.5
[M+NH4]+ 308.233253 183.7
[M+K]+ 329.162588 164.1
[M+H-H2O]+ 273.196690 159.1
[M+HCOO]- 335.197631 174.8
[M+CH3COO]- 349.213281 173.6
[M+Na-2H]- 311.174096 174.6
[M]+ 290.19888142 166.4
[M]- 290.19997858 166.4
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.