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]+ 291.20671 166.4
[M+Na]+ 313.18865 167.3
[M-H]- 289.19215 162.5
[M+NH4]+ 308.23325 183.7
[M+K]+ 329.16259 164.1
[M+H-H2O]+ 273.19669 159.1
[M+HCOO]- 335.19763 174.8
[M+CH3COO]- 349.21328 173.6
[M+Na-2H]- 311.17410 174.6
[M]+ 290.19888 166.4
[M]- 290.19998 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.